phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate

C17H20N2O2 — CID 60655551

IUPACphenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-18(2)15-11-9-14(10-12-15)13-19(3)17(20)21-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyRFEFUHQWQNLDKM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.38
Rot. Bonds4

About phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate

phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate (PubChem CID 60655551) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
PubChem CID60655551
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namephenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-18(2)15-11-9-14(10-12-15)13-19(3)17(20)21-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyRFEFUHQWQNLDKM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate 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

[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
CID 13371954
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 35745385
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
fluoro N-benzyl-N-methylcarbamate
CID 144758254
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
CID 168878000
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381

Frequently Asked Questions

What is the IUPAC name of phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate (CID 60655551) is phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate is CN(Cc1ccc(N(C)C)cc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate?
The InChIKey is RFEFUHQWQNLDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18(2)15-11-9-14(10-12-15)13-19(3)17(20)21-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3.
What are the key properties of phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate?
phenyl N-[[4-(dimethylamino)phenyl]methyl]-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 phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 60655551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).