N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride

C18H29ClN2O — CID 119547626

IUPACN-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
SMILESCCC(CC1CCCC1)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-2-16(13-15-5-3-4-6-15)18(21)20-12-11-14-7-9-17(19)10-8-14;/h7-10,15-16H,2-6,11-13,19H2,1H3,(H,20,21);1H
InChIKeyFICWQHVIVSRFDA-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.96
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride (PubChem CID 119547626) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
PubChem CID119547626
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
SMILESCCC(CC1CCCC1)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-2-16(13-15-5-3-4-6-15)18(21)20-12-11-14-7-9-17(19)10-8-14;/h7-10,15-16H,2-6,11-13,19H2,1H3,(H,20,21);1H
InChIKeyFICWQHVIVSRFDA-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide
CID 119547727
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510206
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500875
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119548358
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510207
N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
CID 119495852
N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 119996125
N-(6-amino-3-pyridinyl)-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119515073
N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride (CID 119547626) is N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride is CCC(CC1CCCC1)C(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride?
The InChIKey is FICWQHVIVSRFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-2-16(13-15-5-3-4-6-15)18(21)20-12-11-14-7-9-17(19)10-8-14;/h7-10,15-16H,2-6,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119547626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).