methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate

C17H20N2O2 — CID 112982866

IUPACmethyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)OC)cc1
InChIInChI=1S/C17H20N2O2/c1-3-19(13-14-7-5-4-6-8-14)16-11-9-15(10-12-16)18-17(20)21-2/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeySXIXIEDTLHVXOQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.89
Rot. Bonds5

About methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate

methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate (PubChem CID 112982866) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
PubChem CID112982866
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)OC)cc1
InChIInChI=1S/C17H20N2O2/c1-3-19(13-14-7-5-4-6-8-14)16-11-9-15(10-12-16)18-17(20)21-2/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeySXIXIEDTLHVXOQ-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze methyl N-[4-[benzyl(ethyl)amino]phenyl]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

1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
CID 39381681
methyl 2-amino-5-[benzyl(ethyl)amino]benzoate
CID 61307302
5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109190853
N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide
CID 78895302
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate (CID 112982866) is methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate is CCN(Cc1ccccc1)c1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate?
The InChIKey is SXIXIEDTLHVXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(13-14-7-5-4-6-8-14)16-11-9-15(10-12-16)18-17(20)21-2/h4-12H,3,13H2,1-2H3,(H,18,20).
What are the key properties of methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate?
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate is sourced from PubChem (CID 112982866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).