N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride

C19H24ClN2O2- — CID 3027981

IUPACN-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride
SMILESCCN(CC)CCc1c(NC(=O)[O-])cccc1-c1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-3-21(4-2)14-13-17-16(15-9-6-5-7-10-15)11-8-12-18(17)20-19(22)23;/h5-12,20H,3-4,13-14H2,1-2H3,(H,22,23);1H/p-1
InChIKeyQMVNEGDTSWSDSW-UHFFFAOYSA-M
MW347.87 g/mol
LogP3.41
Rot. Bonds7

About N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride

N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride (PubChem CID 3027981) has the molecular formula C19H24ClN2O2- and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride
PubChem CID3027981
Molecular FormulaC19H24ClN2O2-
Molecular Weight347.87 g/mol
Exact Mass347.15
IUPAC NameN-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride
SMILESCCN(CC)CCc1c(NC(=O)[O-])cccc1-c1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-3-21(4-2)14-13-17-16(15-9-6-5-7-10-15)11-8-12-18(17)20-19(22)23;/h5-12,20H,3-4,13-14H2,1-2H3,(H,22,23);1H/p-1
InChIKeyQMVNEGDTSWSDSW-UHFFFAOYSA-M
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride 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

2-(diethylamino)ethyl N-(2-phenylphenyl)carbamate
CID 24836570
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenylphenyl)acetamide
CID 31993666
[3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid
CID 3027984
5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide
CID 129274026
3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide
CID 78830866
ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride
CID 20975759
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
2-[3-(diethylamino)propanoylamino]benzoic acid
CID 559444
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 8718330
2-(2,6-diphenylphenyl)acetic acid
CID 69422987

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride?
The IUPAC name of N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride (CID 3027981) is N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride.
What is the SMILES notation for N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride?
The canonical SMILES for N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride is CCN(CC)CCc1c(NC(=O)[O-])cccc1-c1ccccc1.Cl.
What is the InChIKey of N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride?
The InChIKey is QMVNEGDTSWSDSW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-3-21(4-2)14-13-17-16(15-9-6-5-7-10-15)11-8-12-18(17)20-19(22)23;/h5-12,20H,3-4,13-14H2,1-2H3,(H,22,23);1H/p-1.
What are the key properties of N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride?
N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethyl]-3-phenylphenyl]carbamate;hydrochloride is sourced from PubChem (CID 3027981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).