[1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

C28H29ClN2O4 — CID 142710201

IUPAC[1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)NC1CCc2ccc(CCNC(=O)OCc3ccccc3)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C28H29ClN2O4/c29-23-8-4-7-21(15-23)17-25-24-16-19(9-10-22(24)11-12-26(25)31-27(32)33)13-14-30-28(34)35-18-20-5-2-1-3-6-20/h1-10,15-16,25-26,31H,11-14,17-18H2,(H,30,34)(H,32,33)
InChIKeyZOACLQQUXMAQEI-UHFFFAOYSA-N
MW493.00 g/mol
LogP5.72
Rot. Bonds8

About [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

[1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (PubChem CID 142710201) has the molecular formula C28H29ClN2O4 and a molecular weight of 493.00 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
PubChem CID142710201
Molecular FormulaC28H29ClN2O4
Molecular Weight493.00 g/mol
Exact Mass492.18
IUPAC Name[1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)NC1CCc2ccc(CCNC(=O)OCc3ccccc3)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C28H29ClN2O4/c29-23-8-4-7-21(15-23)17-25-24-16-19(9-10-22(24)11-12-26(25)31-27(32)33)13-14-30-28(34)35-18-20-5-2-1-3-6-20/h1-10,15-16,25-26,31H,11-14,17-18H2,(H,30,34)(H,32,33)
InChIKeyZOACLQQUXMAQEI-UHFFFAOYSA-N
XLogP5.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.00
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid 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

[7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 142710204
ethyl N-[1-[(3-chlorophenyl)methyl]-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 57471473
3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride
CID 57471464
N-[3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide;hydrochloride
CID 140556013
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate
CID 165413642
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
CID 108984045
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
2-(3-chlorophenyl)ethylurea
CID 127513466
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (CID 142710201) is [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is O=C(O)NC1CCc2ccc(CCNC(=O)OCc3ccccc3)cc2C1Cc1cccc(Cl)c1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The InChIKey is ZOACLQQUXMAQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O4/c29-23-8-4-7-21(15-23)17-25-24-16-19(9-10-22(24)11-12-26(25)31-27(32)33)13-14-30-28(34)35-18-20-5-2-1-3-6-20/h1-10,15-16,25-26,31H,11-14,17-18H2,(H,30,34)(H,32,33).
What are the key properties of [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
[1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid has a molecular weight of 493.00 g/mol, XLogP of 5.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-7-[2-(phenylmethoxycarbonylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is sourced from PubChem (CID 142710201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).