ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate

C12H16N2O2 — CID 7858390

IUPACethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
SMILESCCOC(=O)N/N=C\[C@@H](C)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-3-16-12(15)14-13-9-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,14,15)/b13-9-/t10-/m1/s1
InChIKeyFMVDVLCNVPSINJ-PEHNMLCRSA-N
MW220.27 g/mol
LogP2.52
Rot. Bonds4

About ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate

ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate (PubChem CID 7858390) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
PubChem CID7858390
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
SMILESCCOC(=O)N/N=C\[C@@H](C)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-3-16-12(15)14-13-9-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,14,15)/b13-9-/t10-/m1/s1
InChIKeyFMVDVLCNVPSINJ-PEHNMLCRSA-N
XLogP2.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 9074824
2-(2,6-dimethylphenoxy)-N-(2-phenylpropylideneamino)acetamide
CID 71950765
2-(2,6-dimethylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 40746747
ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 6246560
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
diethyl 2-[(2S)-2-phenylpropylidene]propanedioate
CID 101044093
ethyl N-[[(1S)-1-phenylethyl]amino]carbamate
CID 76967986

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate?
The IUPAC name of ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate (CID 7858390) is ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate?
The canonical SMILES for ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate is CCOC(=O)N/N=C\[C@@H](C)c1ccccc1.
What is the InChIKey of ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate?
The InChIKey is FMVDVLCNVPSINJ-PEHNMLCRSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-16-12(15)14-13-9-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,14,15)/b13-9-/t10-/m1/s1.
What are the key properties of ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate?
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate has a molecular weight of 220.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate is sourced from PubChem (CID 7858390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).