5-phenylpentyl N-(3-phenylphenyl)carbamate

C24H25NO2 — CID 53348144

IUPAC5-phenylpentyl N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)OCCCCCc1ccccc1
InChIInChI=1S/C24H25NO2/c26-24(27-18-9-3-6-13-20-11-4-1-5-12-20)25-23-17-10-16-22(19-23)21-14-7-2-8-15-21/h1-2,4-5,7-8,10-12,14-17,19H,3,6,9,13,18H2,(H,25,26)
InChIKeyXKFQAFFDOHVHQX-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.32
Rot. Bonds8

About 5-phenylpentyl N-(3-phenylphenyl)carbamate

5-phenylpentyl N-(3-phenylphenyl)carbamate (PubChem CID 53348144) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-phenylpentyl N-(3-phenylphenyl)carbamate.

Molecular Properties

Compound Name5-phenylpentyl N-(3-phenylphenyl)carbamate
PubChem CID53348144
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name5-phenylpentyl N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)OCCCCCc1ccccc1
InChIInChI=1S/C24H25NO2/c26-24(27-18-9-3-6-13-20-11-4-1-5-12-20)25-23-17-10-16-22(19-23)21-14-7-2-8-15-21/h1-2,4-5,7-8,10-12,14-17,19H,3,6,9,13,18H2,(H,25,26)
InChIKeyXKFQAFFDOHVHQX-UHFFFAOYSA-N
XLogP6.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Urb602
CID 10979337
Phenethyl phenylcarbamate
CID 347208
C,C'-Diethyl N,N'-(methylenedi-4,1-phenylene)bis(carbamate)
CID 82348
Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester
CID 93998
3-Phenylpropyl phenylcarbamate
CID 2254838
Mls002608128
CID 236425
Butyl N-1-naphthalenylcarbamate
CID 4230695
4,4'-Methylenebis(isopropyl N-phenylcarbamate)
CID 4258206
Cyclohexyl N-(1-naphthyl)carbamate
CID 3492064
Cyclohexyl biphenyl-4-ylcarbamate
CID 45272494
propan-2-yl N-[3-methyl-4-[2-methyl-4-(propan-2-yloxycarbonylamino)phenyl]phenyl]carbamate
CID 245561
Octan-2-yl naphthalen-1-ylcarbamate
CID 347641

Frequently Asked Questions

What is the IUPAC name of 5-phenylpentyl N-(3-phenylphenyl)carbamate?
The IUPAC name of 5-phenylpentyl N-(3-phenylphenyl)carbamate (CID 53348144) is 5-phenylpentyl N-(3-phenylphenyl)carbamate.
What is the SMILES notation for 5-phenylpentyl N-(3-phenylphenyl)carbamate?
The canonical SMILES for 5-phenylpentyl N-(3-phenylphenyl)carbamate is O=C(Nc1cccc(-c2ccccc2)c1)OCCCCCc1ccccc1.
What is the InChIKey of 5-phenylpentyl N-(3-phenylphenyl)carbamate?
The InChIKey is XKFQAFFDOHVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c26-24(27-18-9-3-6-13-20-11-4-1-5-12-20)25-23-17-10-16-22(19-23)21-14-7-2-8-15-21/h1-2,4-5,7-8,10-12,14-17,19H,3,6,9,13,18H2,(H,25,26).
What are the key properties of 5-phenylpentyl N-(3-phenylphenyl)carbamate?
5-phenylpentyl N-(3-phenylphenyl)carbamate has a molecular weight of 359.47 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl N-(3-phenylphenyl)carbamate is sourced from PubChem (CID 53348144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).