N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride

C22H28ClN3O4 — CID 120603998

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NCCN)ccc1OC1CCCC1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-28-20-14-15(10-11-19(20)29-16-6-2-3-7-16)21(26)25-18-9-5-4-8-17(18)22(27)24-13-12-23;/h4-5,8-11,14,16H,2-3,6-7,12-13,23H2,1H3,(H,24,27)(H,25,26);1H
InChIKeyOZHDXZOUVQPDNV-UHFFFAOYSA-N
MW433.94 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride

N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride (PubChem CID 120603998) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride
PubChem CID120603998
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NCCN)ccc1OC1CCCC1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-28-20-14-15(10-11-19(20)29-16-6-2-3-7-16)21(26)25-18-9-5-4-8-17(18)22(27)24-13-12-23;/h4-5,8-11,14,16H,2-3,6-7,12-13,23H2,1H3,(H,24,27)(H,25,26);1H
InChIKeyOZHDXZOUVQPDNV-UHFFFAOYSA-N
XLogP3.38
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120603434
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 120603887
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
N-(5-chloro-2-hydroxyphenyl)-4-cyclopentyloxy-3-methoxybenzamide
CID 56581323
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
N-(2-aminoethyl)-2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120603923
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55831849
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55855187

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride (CID 120603998) is N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride is COc1cc(C(=O)Nc2ccccc2C(=O)NCCN)ccc1OC1CCCC1.Cl.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride?
The InChIKey is OZHDXZOUVQPDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4.ClH/c1-28-20-14-15(10-11-19(20)29-16-6-2-3-7-16)21(26)25-18-9-5-4-8-17(18)22(27)24-13-12-23;/h4-5,8-11,14,16H,2-3,6-7,12-13,23H2,1H3,(H,24,27)(H,25,26);1H.
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride?
N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 120603998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).