benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate

C25H27NO3 — CID 67456713

IUPACbenzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate
SMILESO=C(NCCCCc1cccc(-c2ccc(CO)cc2)c1)OCc1ccccc1
InChIInChI=1S/C25H27NO3/c27-18-21-12-14-23(15-13-21)24-11-6-10-20(17-24)7-4-5-16-26-25(28)29-19-22-8-2-1-3-9-22/h1-3,6,8-15,17,27H,4-5,7,16,18-19H2,(H,26,28)
InChIKeyWUBZTMQJFMOVDG-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.09
Rot. Bonds9

About benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate

benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate (PubChem CID 67456713) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate
PubChem CID67456713
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Namebenzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate
SMILESO=C(NCCCCc1cccc(-c2ccc(CO)cc2)c1)OCc1ccccc1
InChIInChI=1S/C25H27NO3/c27-18-21-12-14-23(15-13-21)24-11-6-10-20(17-24)7-4-5-16-26-25(28)29-19-22-8-2-1-3-9-22/h1-3,6,8-15,17,27H,4-5,7,16,18-19H2,(H,26,28)
InChIKeyWUBZTMQJFMOVDG-UHFFFAOYSA-N
XLogP5.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
[2-oxo-2-[3-[4-[4-[4-(phenylmethoxycarbonylamino)butyl]phenyl]phenyl]propylamino]ethyl] acetate
CID 177101921
benzyl N-[3-[3-[3-[3-[3-[[3,5-bis[3-(phenylmethoxycarbonylamino)propyl]benzoyl]amino]propyl]-5-(hydroxymethyl)phenyl]propylcarbamoyl]-5-[3-(phenylmethoxycarbonylamino)propyl]phenyl]propyl]carbamate
CID 102153538
benzyl N-[4-[4-(3-hydroxypropoxy)phenyl]butyl]carbamate
CID 11581231
benzyl N-[4-[3-(2,3-dihydroxypropoxy)phenyl]butyl]carbamate
CID 11494508
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832
benzyl N-[2-[4-(hydroxymethyl)phenyl]sulfanylethyl]carbamate
CID 70252349
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-bromooctyl)carbamate
CID 86200547
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate?
The IUPAC name of benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate (CID 67456713) is benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate.
What is the SMILES notation for benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate?
The canonical SMILES for benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate is O=C(NCCCCc1cccc(-c2ccc(CO)cc2)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate?
The InChIKey is WUBZTMQJFMOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c27-18-21-12-14-23(15-13-21)24-11-6-10-20(17-24)7-4-5-16-26-25(28)29-19-22-8-2-1-3-9-22/h1-3,6,8-15,17,27H,4-5,7,16,18-19H2,(H,26,28).
What are the key properties of benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate?
benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate has a molecular weight of 389.50 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate is sourced from PubChem (CID 67456713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).