(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide

C16H23N3O2 — CID 95302028

IUPAC(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1
InChIInChI=1S/C16H23N3O2/c1-11(15(20)19-16(21)17-2)18-14(13-9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,11,13-14,18H,6,9-10H2,1-2H3,(H2,17,19,20,21)/t11-,14-/m0/s1
InChIKeyFQDBPMXPPNJHCY-FZMZJTMJSA-N
MW289.38 g/mol
LogP1.96
Rot. Bonds5

About (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide

(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 95302028) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID95302028
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1
InChIInChI=1S/C16H23N3O2/c1-11(15(20)19-16(21)17-2)18-14(13-9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,11,13-14,18H,6,9-10H2,1-2H3,(H2,17,19,20,21)/t11-,14-/m0/s1
InChIKeyFQDBPMXPPNJHCY-FZMZJTMJSA-N
XLogP1.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81392646
2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 115576034
(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 25431954
cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 7509463
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
CID 8005843
(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
CID 94641410
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide (CID 95302028) is (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1.
What is the InChIKey of (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is FQDBPMXPPNJHCY-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(15(20)19-16(21)17-2)18-14(13-9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8,11,13-14,18H,6,9-10H2,1-2H3,(H2,17,19,20,21)/t11-,14-/m0/s1.
What are the key properties of (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide?
(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 95302028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).