N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide

C16H25N3O2 — CID 114948159

IUPACN-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1N)CC1(O)CCCC1
InChIInChI=1S/C16H25N3O2/c1-19(12-16(21)9-4-5-10-16)11-8-15(20)18-14-7-3-2-6-13(14)17/h2-3,6-7,21H,4-5,8-12,17H2,1H3,(H,18,20)
InChIKeyRJYFXMJCGVHDLN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.83
Rot. Bonds6

About N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide

N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide (PubChem CID 114948159) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
PubChem CID114948159
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1N)CC1(O)CCCC1
InChIInChI=1S/C16H25N3O2/c1-19(12-16(21)9-4-5-10-16)11-8-15(20)18-14-7-3-2-6-13(14)17/h2-3,6-7,21H,4-5,8-12,17H2,1H3,(H,18,20)
InChIKeyRJYFXMJCGVHDLN-UHFFFAOYSA-N
XLogP1.83
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63725564
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948097
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
N-(2-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
4-[(1-hydroxycyclopentyl)methyl-methylamino]-1-phenylbutan-1-one
CID 114950371
N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 63842600
N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82732171
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948014

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide (CID 114948159) is N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide is CN(CCC(=O)Nc1ccccc1N)CC1(O)CCCC1.
What is the InChIKey of N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide?
The InChIKey is RJYFXMJCGVHDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(12-16(21)9-4-5-10-16)11-8-15(20)18-14-7-3-2-6-13(14)17/h2-3,6-7,21H,4-5,8-12,17H2,1H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide?
N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide is sourced from PubChem (CID 114948159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).