benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate

C23H22N2O3 — CID 126005165

IUPACbenzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate
SMILESO=C(CCNC(=O)OCc1ccccc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c26-22(15-16-24-23(27)28-17-18-7-3-1-4-8-18)25-21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14H,15-17H2,(H,24,27)(H,25,26)
InChIKeyMBJLSFDAABPAKD-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.61
Rot. Bonds7

About benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate

benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate (PubChem CID 126005165) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate
PubChem CID126005165
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Namebenzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate
SMILESO=C(CCNC(=O)OCc1ccccc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c26-22(15-16-24-23(27)28-17-18-7-3-1-4-8-18)25-21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14H,15-17H2,(H,24,27)(H,25,26)
InChIKeyMBJLSFDAABPAKD-UHFFFAOYSA-N
XLogP4.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(4-bromoanilino)-3-oxopropyl]carbamate
CID 165430807
benzyl N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamate
CID 110370640
benzyl N-[4-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]phenyl]butyl]carbamate
CID 58664815
benzyl N-[4-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]phenyl]but-3-ynyl]carbamate
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benzyl N-[3-[2-[(1,3-dioxoisoindol-2-yl)methyl]-5-phenylanilino]-3-oxopropyl]carbamate
CID 67542534
benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate
CID 4075951
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate
CID 58874869
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate?
The IUPAC name of benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate (CID 126005165) is benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate.
What is the SMILES notation for benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate?
The canonical SMILES for benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate is O=C(CCNC(=O)OCc1ccccc1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate?
The InChIKey is MBJLSFDAABPAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(15-16-24-23(27)28-17-18-7-3-1-4-8-18)25-21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14H,15-17H2,(H,24,27)(H,25,26).
What are the key properties of benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate?
benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate has a molecular weight of 374.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate is sourced from PubChem (CID 126005165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).