N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide

C16H25N3O — CID 63630843

IUPACN-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
SMILESCN(CC(=O)N(C)c1ccc(N)cc1)CC1CCCC1
InChIInChI=1S/C16H25N3O/c1-18(11-13-5-3-4-6-13)12-16(20)19(2)15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12,17H2,1-2H3
InChIKeyHGSABAUYCFFPRM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds5

About N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide

N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide (PubChem CID 63630843) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
PubChem CID63630843
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
SMILESCN(CC(=O)N(C)c1ccc(N)cc1)CC1CCCC1
InChIInChI=1S/C16H25N3O/c1-18(11-13-5-3-4-6-13)12-16(20)19(2)15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12,17H2,1-2H3
InChIKeyHGSABAUYCFFPRM-UHFFFAOYSA-N
XLogP2.35
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-aminophenyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545498
N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
CID 43375625
N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82733451
N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 79383876
N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide
CID 63693206
N-(4-aminophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylacetamide
CID 43648422
N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
CID 154490639
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 43375666
2-cyclopentyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 28738996
4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine
CID 139681620
N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
CID 106585961

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide (CID 63630843) is N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide is CN(CC(=O)N(C)c1ccc(N)cc1)CC1CCCC1.
What is the InChIKey of N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide?
The InChIKey is HGSABAUYCFFPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(11-13-5-3-4-6-13)12-16(20)19(2)15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12,17H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide?
N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide has a molecular weight of 275.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 63630843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).