(3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide

C15H23N3O2 — CID 170568912

IUPAC(3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide
SMILESCCNC(=O)Nc1ccccc1NC(=O)C[C@@H](C)CC
InChIInChI=1S/C15H23N3O2/c1-4-11(3)10-14(19)17-12-8-6-7-9-13(12)18-15(20)16-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)(H2,16,18,20)/t11-/m0/s1
InChIKeyTVSIEVMIHYWUKO-NSHDSACASA-N
MW277.37 g/mol
LogP3.20
Rot. Bonds6

About (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide

(3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide (PubChem CID 170568912) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide
PubChem CID170568912
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide
SMILESCCNC(=O)Nc1ccccc1NC(=O)C[C@@H](C)CC
InChIInChI=1S/C15H23N3O2/c1-4-11(3)10-14(19)17-12-8-6-7-9-13(12)18-15(20)16-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)(H2,16,18,20)/t11-/m0/s1
InChIKeyTVSIEVMIHYWUKO-NSHDSACASA-N
XLogP3.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylcarbamoylamino)-6-methylphenyl]-2-methylpropanamide
CID 46949700
2-fluoro-6-(3-methylpentanoylamino)benzoic acid
CID 114873617
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
CID 12951440
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
3-methyl-N-phenacylpentanamide
CID 114874845
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)propanamide
CID 51167467
3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide
CID 167063109
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
N-(4-amino-2-bromophenyl)-3-methylpentanamide
CID 114873501
2-(3-methylpentanoylamino)-4-phenylbutanoic acid
CID 114916667
N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide
CID 106910059

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide?
The IUPAC name of (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide (CID 170568912) is (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide.
What is the SMILES notation for (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide?
The canonical SMILES for (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide is CCNC(=O)Nc1ccccc1NC(=O)C[C@@H](C)CC.
What is the InChIKey of (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide?
The InChIKey is TVSIEVMIHYWUKO-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-11(3)10-14(19)17-12-8-6-7-9-13(12)18-15(20)16-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)(H2,16,18,20)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide?
(3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide has a molecular weight of 277.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide is sourced from PubChem (CID 170568912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).