N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane

C15H34N4O3 — CID 170598149

IUPACN-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
SMILESCC.CCC(=O)NC(CC(C)C)C(=O)NCC(N)=O.CCN
InChIInChI=1S/C11H21N3O3.C2H7N.C2H6/c1-4-10(16)14-8(5-7(2)3)11(17)13-6-9(12)15;1-2-3;1-2/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,17)(H,14,16);2-3H2,1H3;1-2H3
InChIKeyDMSUEUGMECFHCT-UHFFFAOYSA-N
MW318.46 g/mol
LogP0.52
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane

N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane (PubChem CID 170598149) has the molecular formula C15H34N4O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
PubChem CID170598149
Molecular FormulaC15H34N4O3
Molecular Weight318.46 g/mol
Exact Mass318.26
IUPAC NameN-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
SMILESCC.CCC(=O)NC(CC(C)C)C(=O)NCC(N)=O.CCN
InChIInChI=1S/C11H21N3O3.C2H7N.C2H6/c1-4-10(16)14-8(5-7(2)3)11(17)13-6-9(12)15;1-2-3;1-2/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,17)(H,14,16);2-3H2,1H3;1-2H3
InChIKeyDMSUEUGMECFHCT-UHFFFAOYSA-N
XLogP0.52
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369
2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
CID 123621457
2-[(2-aminoacetyl)amino]-N-(2-hydrazinyl-2-oxoethyl)-4-methylpentanamide
CID 178118398
4-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18488822
(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
CID 163530285
N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide
CID 7075093
N-(2-amino-2-oxoethyl)-2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanamide
CID 170598183
2-[[5-amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 18488807
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]thiolane-2-carboxamide
CID 54253945
2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
CID 11394267
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 22655078
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane (CID 170598149) is N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane is CC.CCC(=O)NC(CC(C)C)C(=O)NCC(N)=O.CCN.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane?
The InChIKey is DMSUEUGMECFHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3.C2H7N.C2H6/c1-4-10(16)14-8(5-7(2)3)11(17)13-6-9(12)15;1-2-3;1-2/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,17)(H,14,16);2-3H2,1H3;1-2H3.
What are the key properties of N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane?
N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane has a molecular weight of 318.46 g/mol, XLogP of 0.52, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane is sourced from PubChem (CID 170598149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).