2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide

C44H91N9O7 — CID 142295483

IUPAC2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC.CCC(C)C(C(=O)NCCN1CCOCC1)N(C)CC.CCC(C)C(N)C(=O)N(C)CCN1CCOCC1.CCC(C)C(N)C(=O)NC(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C15H31N3O2.C14H27N3O3.C13H27N3O2.C2H6/c1-5-13(3)14(17(4)6-2)15(19)16-7-8-18-9-11-20-12-10-18;1-5-10(2)11(15)12(18)16-14(3,4)13(19)17-6-8-20-9-7-17;1-4-11(2)12(14)13(17)15(3)5-6-16-7-9-18-10-8-16;1-2/h13-14H,5-12H2,1-4H3,(H,16,19);10-11H,5-9,15H2,1-4H3,(H,16,18);11-12H,4-10,14H2,1-3H3;1-2H3
InChIKeyQMRREKHBTXCADV-UHFFFAOYSA-N
MW858.27 g/mol
LogP2.09
Rot. Bonds19

About 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide

2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 142295483) has the molecular formula C44H91N9O7 and a molecular weight of 858.27 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID142295483
Molecular FormulaC44H91N9O7
Molecular Weight858.27 g/mol
Exact Mass857.70
IUPAC Name2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC.CCC(C)C(C(=O)NCCN1CCOCC1)N(C)CC.CCC(C)C(N)C(=O)N(C)CCN1CCOCC1.CCC(C)C(N)C(=O)NC(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C15H31N3O2.C14H27N3O3.C13H27N3O2.C2H6/c1-5-13(3)14(17(4)6-2)15(19)16-7-8-18-9-11-20-12-10-18;1-5-10(2)11(15)12(18)16-14(3,4)13(19)17-6-8-20-9-7-17;1-4-11(2)12(14)13(17)15(3)5-6-16-7-9-18-10-8-16;1-2/h13-14H,5-12H2,1-4H3,(H,16,19);10-11H,5-9,15H2,1-4H3,(H,16,18);11-12H,4-10,14H2,1-3H3;1-2H3
InChIKeyQMRREKHBTXCADV-UHFFFAOYSA-N
XLogP2.09
TPSA188.27 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.27
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide with MolForge

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Related Compounds

4-(2,2-Dimethylpropyl)-3-{2-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 16188943
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 16886595
4-(3-Methylbutyl)-3-{2-[4-(4-morpholinylmethyl)-1-piperidinyl]-2-oxoethyl}-2-piperazinone
CID 45209618
N-methyl-2-[3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidin-1'-yl]acetamide
CID 70787894
3-(2-Methylpropyl)-9-(morpholine-4-carbonyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21926956
1-Butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 23577563
(3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one
CID 58441901
2-(4-tert-butylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-N-piperidin-4-ylacetamide
CID 68177751
2-(4-ethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-N-piperidin-4-ylacetamide
CID 68185905
3,3-Bis(2-morpholin-4-ylpropyl)piperazin-2-one
CID 69368616
1-Butyl-3-(morpholin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
CID 69635526
(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methyl-N-(2-morpholin-4-ylacetyl)pentanamide
CID 70409776

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide (CID 142295483) is 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide is CC.CCC(C)C(C(=O)NCCN1CCOCC1)N(C)CC.CCC(C)C(N)C(=O)N(C)CCN1CCOCC1.CCC(C)C(N)C(=O)NC(C)(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is QMRREKHBTXCADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2.C14H27N3O3.C13H27N3O2.C2H6/c1-5-13(3)14(17(4)6-2)15(19)16-7-8-18-9-11-20-12-10-18;1-5-10(2)11(15)12(18)16-14(3,4)13(19)17-6-8-20-9-7-17;1-4-11(2)12(14)13(17)15(3)5-6-16-7-9-18-10-8-16;1-2/h13-14H,5-12H2,1-4H3,(H,16,19);10-11H,5-9,15H2,1-4H3,(H,16,18);11-12H,4-10,14H2,1-3H3;1-2H3.
What are the key properties of 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 858.27 g/mol, XLogP of 2.09, 19 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 142295483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).