3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide

C16H28F2N4O4 — CID 162598967

IUPAC3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide
SMILESC[C@H](NC(=O)CNC(=O)C(O)C(N)CCC1CCC1(F)F)C(=O)N(C)C
InChIInChI=1S/C16H28F2N4O4/c1-9(15(26)22(2)3)21-12(23)8-20-14(25)13(24)11(19)5-4-10-6-7-16(10,17)18/h9-11,13,24H,4-8,19H2,1-3H3,(H,20,25)(H,21,23)/t9-,10?,11?,13?/m0/s1
InChIKeyGQRMGYNMWSHXGJ-UZJKLBMHSA-N
MW378.42 g/mol
LogP-0.79
Rot. Bonds9

About 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide

3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide (PubChem CID 162598967) has the molecular formula C16H28F2N4O4 and a molecular weight of 378.42 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide.

Molecular Properties

Compound Name3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide
PubChem CID162598967
Molecular FormulaC16H28F2N4O4
Molecular Weight378.42 g/mol
Exact Mass378.21
IUPAC Name3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide
SMILESC[C@H](NC(=O)CNC(=O)C(O)C(N)CCC1CCC1(F)F)C(=O)N(C)C
InChIInChI=1S/C16H28F2N4O4/c1-9(15(26)22(2)3)21-12(23)8-20-14(25)13(24)11(19)5-4-10-6-7-16(10,17)18/h9-11,13,24H,4-8,19H2,1-3H3,(H,20,25)(H,21,23)/t9-,10?,11?,13?/m0/s1
InChIKeyGQRMGYNMWSHXGJ-UZJKLBMHSA-N
XLogP-0.79
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide with MolForge

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Related Compounds

N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94191433
(3S)-3-amino-N-[2-[[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-hydroxyhexanamide
CID 87495872
2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
CID 55116663
3-amino-4-cyclopropyl-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxybutanamide;hydrochloride
CID 11661558
3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004
2-[[2-(1-aminocyclopentyl)acetyl]amino]-N,N-dimethylpropanamide
CID 64685184
(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide
CID 94114407
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 82012313
2-[3-(cyclopropylamino)propanoylamino]-N,N-dimethylpropanamide
CID 60867427
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
N,N-dimethyl-2-[[2-[methyl-(1-oxothian-4-yl)amino]acetyl]amino]propanamide
CID 75423651

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide?
The IUPAC name of 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide (CID 162598967) is 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide.
What is the SMILES notation for 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide?
The canonical SMILES for 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide is C[C@H](NC(=O)CNC(=O)C(O)C(N)CCC1CCC1(F)F)C(=O)N(C)C.
What is the InChIKey of 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide?
The InChIKey is GQRMGYNMWSHXGJ-UZJKLBMHSA-N. The full InChI is InChI=1S/C16H28F2N4O4/c1-9(15(26)22(2)3)21-12(23)8-20-14(25)13(24)11(19)5-4-10-6-7-16(10,17)18/h9-11,13,24H,4-8,19H2,1-3H3,(H,20,25)(H,21,23)/t9-,10?,11?,13?/m0/s1.
What are the key properties of 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide?
3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide has a molecular weight of 378.42 g/mol, XLogP of -0.79, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-difluorocyclobutyl)-N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-hydroxypentanamide is sourced from PubChem (CID 162598967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).