ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate

C18H20N2O3 — CID 9033040

IUPACethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)20-16-11-9-15(10-12-16)17(21)19-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyQXZHBBIZWMKHQQ-ZDUSSCGKSA-N
MW312.37 g/mol
LogP3.75
Rot. Bonds5

About ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate

ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate (PubChem CID 9033040) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
PubChem CID9033040
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)20-16-11-9-15(10-12-16)17(21)19-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyQXZHBBIZWMKHQQ-ZDUSSCGKSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(ethoxycarbonylamino)benzoate
CID 46544767
[(2R)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938442
[(2S)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938445
ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate
CID 9427411
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
ethyl 4-(1-benzamidoethyl)benzoate
CID 164679165
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887636
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-(1-phenylethyl)-4-(1,2,2-tricyanoethenylamino)benzamide
CID 168607076
ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9426662

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate (CID 9033040) is ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate?
The InChIKey is QXZHBBIZWMKHQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-18(22)20-16-11-9-15(10-12-16)17(21)19-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,19,21)(H,20,22)/t13-/m0/s1.
What are the key properties of ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate?
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9033040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).