(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide

C20H25N3O2 — CID 7218963

IUPAC(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide
SMILESCCC[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-10-18(23-20(25)22-17-13-8-5-9-14-17)19(24)21-15(2)16-11-6-4-7-12-16/h4-9,11-15,18H,3,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t15-,18+/m0/s1
InChIKeyDREPDDQDBNZLDF-MAUKXSAKSA-N
MW339.44 g/mol
LogP3.85
Rot. Bonds7

About (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide

(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide (PubChem CID 7218963) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide
PubChem CID7218963
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide
SMILESCCC[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-10-18(23-20(25)22-17-13-8-5-9-14-17)19(24)21-15(2)16-11-6-4-7-12-16/h4-9,11-15,18H,3,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t15-,18+/m0/s1
InChIKeyDREPDDQDBNZLDF-MAUKXSAKSA-N
XLogP3.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-phenylpentanamide
CID 4627801
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-butylsulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55963010
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide
CID 90387021
2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4295925
(2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide
CID 94033059
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
2-(naphthalen-1-ylsulfonylamino)-N-(1-phenylethyl)pentanamide
CID 42703154
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide?
The IUPAC name of (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide (CID 7218963) is (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide.
What is the SMILES notation for (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide?
The canonical SMILES for (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide is CCC[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide?
The InChIKey is DREPDDQDBNZLDF-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-10-18(23-20(25)22-17-13-8-5-9-14-17)19(24)21-15(2)16-11-6-4-7-12-16/h4-9,11-15,18H,3,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t15-,18+/m0/s1.
What are the key properties of (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide?
(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide has a molecular weight of 339.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide is sourced from PubChem (CID 7218963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).