3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride

C22H28ClN3O2 — CID 119717914

IUPAC3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(C(=O)Cc1ccc(NC(=O)C2CCC(N)C2)cc1)c1ccccc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-2-25(20-6-4-3-5-7-20)21(26)14-16-8-12-19(13-9-16)24-22(27)17-10-11-18(23)15-17;/h3-9,12-13,17-18H,2,10-11,14-15,23H2,1H3,(H,24,27);1H
InChIKeyLIMBBJFPWIZVRH-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.77
Rot. Bonds6

About 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119717914) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119717914
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(C(=O)Cc1ccc(NC(=O)C2CCC(N)C2)cc1)c1ccccc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-2-25(20-6-4-3-5-7-20)21(26)14-16-8-12-19(13-9-16)24-22(27)17-10-11-18(23)15-17;/h3-9,12-13,17-18H,2,10-11,14-15,23H2,1H3,(H,24,27);1H
InChIKeyLIMBBJFPWIZVRH-UHFFFAOYSA-N
XLogP3.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
CID 119731750
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860849
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119717935
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55991002
N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide
CID 112838540

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119717914) is 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride is CCN(C(=O)Cc1ccc(NC(=O)C2CCC(N)C2)cc1)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is LIMBBJFPWIZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-2-25(20-6-4-3-5-7-20)21(26)14-16-8-12-19(13-9-16)24-22(27)17-10-11-18(23)15-17;/h3-9,12-13,17-18H,2,10-11,14-15,23H2,1H3,(H,24,27);1H.
What are the key properties of 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119717914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).