(4-benzylphenyl) N,N-diethylcarbamate

C18H21NO2 — CID 22414998

IUPAC(4-benzylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-19(4-2)18(20)21-17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyJXBJGVBSSIAMSX-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.12
Rot. Bonds5

About (4-benzylphenyl) N,N-diethylcarbamate

(4-benzylphenyl) N,N-diethylcarbamate (PubChem CID 22414998) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4-benzylphenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(4-benzylphenyl) N,N-diethylcarbamate
PubChem CID22414998
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(4-benzylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-19(4-2)18(20)21-17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyJXBJGVBSSIAMSX-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
3-[ethyl(phenoxycarbonyl)amino]-2-methylpropanoic acid
CID 62827922
[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
CID 163320636
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
[4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate
CID 155545014
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
CID 168878000
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
(3-formylphenyl) N,N-diethylcarbamate
CID 46832010
[4-(benzylsulfanylmethyl)phenyl] propanoate
CID 150328097
phenyl N-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-N-ethylcarbamate
CID 58078960
[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate
CID 66687048

Frequently Asked Questions

What is the IUPAC name of (4-benzylphenyl) N,N-diethylcarbamate?
The IUPAC name of (4-benzylphenyl) N,N-diethylcarbamate (CID 22414998) is (4-benzylphenyl) N,N-diethylcarbamate.
What is the SMILES notation for (4-benzylphenyl) N,N-diethylcarbamate?
The canonical SMILES for (4-benzylphenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (4-benzylphenyl) N,N-diethylcarbamate?
The InChIKey is JXBJGVBSSIAMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19(4-2)18(20)21-17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of (4-benzylphenyl) N,N-diethylcarbamate?
(4-benzylphenyl) N,N-diethylcarbamate has a molecular weight of 283.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylphenyl) N,N-diethylcarbamate is sourced from PubChem (CID 22414998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).