methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate

C16H16N2O3 — CID 7085514

IUPACmethyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate
SMILESCOC(=O)N[C@H](Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)18-15(17-13-10-6-3-7-11-13)14(19)12-8-4-2-5-9-12/h2-11,15,17H,1H3,(H,18,20)/t15-/m0/s1
InChIKeyFCDPBKGRNYMYOD-HNNXBMFYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds5

About methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate

methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate (PubChem CID 7085514) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate
PubChem CID7085514
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate
SMILESCOC(=O)N[C@H](Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)18-15(17-13-10-6-3-7-11-13)14(19)12-8-4-2-5-9-12/h2-11,15,17H,1H3,(H,18,20)/t15-/m0/s1
InChIKeyFCDPBKGRNYMYOD-HNNXBMFYSA-N
XLogP2.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate
CID 4084181
methyl N-[(1S)-1-(2-chloroanilino)-2-oxo-2-phenylethyl]carbamate
CID 34259420
N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 978963
methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 766450
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
2-anilino-1-phenylpropan-1-one
CID 577481
ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate
CID 4013738
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984908
methyl (2R,3S)-2-anilino-3-methyl-4-oxo-4-phenylbutanoate
CID 162406484
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 1085147
N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate?
The IUPAC name of methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate (CID 7085514) is methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate?
The canonical SMILES for methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate is COC(=O)N[C@H](Nc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate?
The InChIKey is FCDPBKGRNYMYOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16(20)18-15(17-13-10-6-3-7-11-13)14(19)12-8-4-2-5-9-12/h2-11,15,17H,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate?
methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate has a molecular weight of 284.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate is sourced from PubChem (CID 7085514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).