[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate

C17H20N2O2 — CID 13371954

IUPAC[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H20N2O2/c1-18(2)15-10-7-11-16(12-15)21-17(20)19(3)13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3
InChIKeyKMHRUEDQHMQXNE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.38
Rot. Bonds4

About [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate

[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate (PubChem CID 13371954) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
PubChem CID13371954
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H20N2O2/c1-18(2)15-10-7-11-16(12-15)21-17(20)19(3)13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3
InChIKeyKMHRUEDQHMQXNE-UHFFFAOYSA-N
XLogP3.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
[3-(dimethylamino)phenyl] carbamate
CID 23622089
fluoro N-benzyl-N-methylcarbamate
CID 144758254
(E)-4-[3-(dimethylamino)phenoxy]but-2-enoic acid
CID 62343701
2-[(3-ethylphenoxy)carbonyl-methylamino]acetic acid
CID 116819552
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
[3-(dimethylamino)phenyl] 4-(hydroxymethyl)benzoate
CID 118525315
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
[3-(dimethylamino)phenyl] 2-methylprop-2-enoate
CID 18954612

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate?
The IUPAC name of [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate (CID 13371954) is [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate.
What is the SMILES notation for [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate?
The canonical SMILES for [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)Oc1cccc(N(C)C)c1.
What is the InChIKey of [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate?
The InChIKey is KMHRUEDQHMQXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18(2)15-10-7-11-16(12-15)21-17(20)19(3)13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate?
[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate has a molecular weight of 284.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate is sourced from PubChem (CID 13371954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).