3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride

C23H30ClN3O3 — CID 119750840

IUPAC3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)COc2ccc(CCNC(=O)C3CCC(N)C3)cc2)c1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-16-3-2-4-20(13-16)26-22(27)15-29-21-9-5-17(6-10-21)11-12-25-23(28)18-7-8-19(24)14-18;/h2-6,9-10,13,18-19H,7-8,11-12,14-15,24H2,1H3,(H,25,28)(H,26,27);1H
InChIKeyQLYWNLUCVYQBJH-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.22
Rot. Bonds8

About 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119750840) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119750840
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)COc2ccc(CCNC(=O)C3CCC(N)C3)cc2)c1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-16-3-2-4-20(13-16)26-22(27)15-29-21-9-5-17(6-10-21)11-12-25-23(28)18-7-8-19(24)14-18;/h2-6,9-10,13,18-19H,7-8,11-12,14-15,24H2,1H3,(H,25,28)(H,26,27);1H
InChIKeyQLYWNLUCVYQBJH-UHFFFAOYSA-N
XLogP3.22
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]pentanamide;hydrochloride
CID 119750862
N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide
CID 119750855
3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119741718
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide
CID 119304611
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119751120
4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
3-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788200
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119750840) is 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride is Cc1cccc(NC(=O)COc2ccc(CCNC(=O)C3CCC(N)C3)cc2)c1.Cl.
What is the InChIKey of 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is QLYWNLUCVYQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-16-3-2-4-20(13-16)26-22(27)15-29-21-9-5-17(6-10-21)11-12-25-23(28)18-7-8-19(24)14-18;/h2-6,9-10,13,18-19H,7-8,11-12,14-15,24H2,1H3,(H,25,28)(H,26,27);1H.
What are the key properties of 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119750840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).