(2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide

C18H21N3O3 — CID 95616236

IUPAC(2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide
SMILESC[C@H](NC(N)=O)C(=O)N[C@H](COc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(20-18(19)23)17(22)21-16(14-8-4-2-5-9-14)12-24-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)(H3,19,20,23)/t13-,16+/m0/s1
InChIKeyUABPHQGKMUJUSP-XJKSGUPXSA-N
MW327.38 g/mol
LogP1.98
Rot. Bonds7

About (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide

(2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide (PubChem CID 95616236) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide
PubChem CID95616236
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide
SMILESC[C@H](NC(N)=O)C(=O)N[C@H](COc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(20-18(19)23)17(22)21-16(14-8-4-2-5-9-14)12-24-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)(H3,19,20,23)/t13-,16+/m0/s1
InChIKeyUABPHQGKMUJUSP-XJKSGUPXSA-N
XLogP1.98
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 63182177
4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide
CID 120592001
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenoxyethyl]-2-methylpropanamide
CID 18340878
(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide
CID 51354470
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
CID 63182493
2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
CID 134050112
2-(cyclopropylmethylamino)-N-(2-phenoxy-1-phenylethyl)acetamide;hydrochloride
CID 119779869
propan-2-yl N-[1-[[1-(3,4-dimethoxyphenyl)-2-phenoxyethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 141365835
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide (CID 95616236) is (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide is C[C@H](NC(N)=O)C(=O)N[C@H](COc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide?
The InChIKey is UABPHQGKMUJUSP-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(20-18(19)23)17(22)21-16(14-8-4-2-5-9-14)12-24-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)(H3,19,20,23)/t13-,16+/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide?
(2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide has a molecular weight of 327.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[(1S)-2-phenoxy-1-phenylethyl]propanamide is sourced from PubChem (CID 95616236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).