2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide

C15H27N3O3 — CID 51103870

IUPAC2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)C(C)NC(=O)C(C)NC(=O)CC1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-10(14(20)16-3)18-15(21)11(2)17-13(19)9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyRFPHOSUYPXQLBF-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.71
Rot. Bonds6

About 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide

2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide (PubChem CID 51103870) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
PubChem CID51103870
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)C(C)NC(=O)C(C)NC(=O)CC1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-10(14(20)16-3)18-15(21)11(2)17-13(19)9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyRFPHOSUYPXQLBF-UHFFFAOYSA-N
XLogP0.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014
2-[[2-(azetidin-3-yl)acetyl]amino]-N-methylpropanamide
CID 64611012
2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide
CID 145466463
6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid
CID 119219690
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
2-cyclobutyl-N-methylacetamide
CID 57296172
2-[[2-(cyclopentylamino)acetyl]amino]-N-methylpropanamide
CID 61467728
tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
CID 95305329

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide (CID 51103870) is 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide is CNC(=O)C(C)NC(=O)C(C)NC(=O)CC1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is RFPHOSUYPXQLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(14(20)16-3)18-15(21)11(2)17-13(19)9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide?
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 51103870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).