(2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide

C23H23N3O2 — CID 8640380

IUPAC(2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide
SMILESCc1ccc([C@H](N[C@H](C(=O)NC(N)=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)25-21(22(27)26-23(24)28)18-10-6-3-7-11-18/h2-15,20-21,25H,1H3,(H3,24,26,27,28)/t20-,21+/m1/s1
InChIKeyNXOCPUREQQXEFZ-RTWAWAEBSA-N
MW373.46 g/mol
LogP3.61
Rot. Bonds6

About (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide

(2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide (PubChem CID 8640380) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide
PubChem CID8640380
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide
SMILESCc1ccc([C@H](N[C@H](C(=O)NC(N)=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)25-21(22(27)26-23(24)28)18-10-6-3-7-11-18/h2-15,20-21,25H,1H3,(H3,24,26,27,28)/t20-,21+/m1/s1
InChIKeyNXOCPUREQQXEFZ-RTWAWAEBSA-N
XLogP3.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzhydrylamino)-N-carbamoyl-2-phenylacetamide
CID 8596163
(2R)-N-carbamoyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755898
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide
CID 8769458
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide
CID 8599213
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 8755134
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-carbamoyl-2-phenylacetamide
CID 9001607
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide (CID 8640380) is (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide is Cc1ccc([C@H](N[C@H](C(=O)NC(N)=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide?
The InChIKey is NXOCPUREQQXEFZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)25-21(22(27)26-23(24)28)18-10-6-3-7-11-18/h2-15,20-21,25H,1H3,(H3,24,26,27,28)/t20-,21+/m1/s1.
What are the key properties of (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide?
(2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide has a molecular weight of 373.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8640380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).