(2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide

C19H23N3O3 — CID 95296217

IUPAC(2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide
SMILESCc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H](C)NC(N)=O
InChIInChI=1S/C19H23N3O3/c1-12-11-16(25-14(3)15-7-5-4-6-8-15)9-10-17(12)22-18(23)13(2)21-19(20)24/h4-11,13-14H,1-3H3,(H,22,23)(H3,20,21,24)/t13-,14+/m0/s1
InChIKeyZJBOAWZMBLVTMP-UONOGXRCSA-N
MW341.41 g/mol
LogP3.13
Rot. Bonds6

About (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide

(2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide (PubChem CID 95296217) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide
PubChem CID95296217
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide
SMILESCc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H](C)NC(N)=O
InChIInChI=1S/C19H23N3O3/c1-12-11-16(25-14(3)15-7-5-4-6-8-15)9-10-17(12)22-18(23)13(2)21-19(20)24/h4-11,13-14H,1-3H3,(H,22,23)(H3,20,21,24)/t13-,14+/m0/s1
InChIKeyZJBOAWZMBLVTMP-UONOGXRCSA-N
XLogP3.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide
CID 120988950
2-methyl-3-(methylamino)-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide;hydrochloride
CID 119773715
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
(2R)-N-[2-methyl-4-[(1S)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348677
(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348679
(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 120630841
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
3-[2-(carbamoylamino)propanoylamino]-2-methylbenzoic acid
CID 62948566
2-[2-(carbamoylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411113
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
2-[(2,2-diphenylacetyl)amino]-N-(2-methylphenyl)propanamide
CID 42702223
(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248607

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide (CID 95296217) is (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide is Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H](C)NC(N)=O.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide?
The InChIKey is ZJBOAWZMBLVTMP-UONOGXRCSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-11-16(25-14(3)15-7-5-4-6-8-15)9-10-17(12)22-18(23)13(2)21-19(20)24/h4-11,13-14H,1-3H3,(H,22,23)(H3,20,21,24)/t13-,14+/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide?
(2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]propanamide is sourced from PubChem (CID 95296217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).