N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide

C16H25N3O2 — CID 114948280

IUPACN-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)c1ccc(N)cc1)CC1(O)CCCC1
InChIInChI=1S/C16H25N3O2/c1-18(12-16(21)9-3-4-10-16)11-15(20)19(2)14-7-5-13(17)6-8-14/h5-8,21H,3-4,9-12,17H2,1-2H3
InChIKeyXLDCCKRXUFGJNG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.47
Rot. Bonds5

About N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide

N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide (PubChem CID 114948280) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
PubChem CID114948280
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)c1ccc(N)cc1)CC1(O)CCCC1
InChIInChI=1S/C16H25N3O2/c1-18(12-16(21)9-3-4-10-16)11-15(20)19(2)14-7-5-13(17)6-8-14/h5-8,21H,3-4,9-12,17H2,1-2H3
InChIKeyXLDCCKRXUFGJNG-UHFFFAOYSA-N
XLogP1.47
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948014
N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
CID 63630843
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-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948097
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898
N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942
1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
3-[[2-(4-amino-N-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914693
N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
CID 43526556
N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
CID 43375625

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide (CID 114948280) is N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide is CN(CC(=O)N(C)c1ccc(N)cc1)CC1(O)CCCC1.
What is the InChIKey of N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is XLDCCKRXUFGJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(12-16(21)9-3-4-10-16)11-15(20)19(2)14-7-5-13(17)6-8-14/h5-8,21H,3-4,9-12,17H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide?
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide has a molecular weight of 291.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 114948280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).