N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide

C16H24N2O2 — CID 66322376

IUPACN-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCOCC1CCCC1
InChIInChI=1S/C16H24N2O2/c1-12-6-7-14(17)10-15(12)18-16(19)8-9-20-11-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyKRRIFYYVZCNZBQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.11
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide

N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide (PubChem CID 66322376) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
PubChem CID66322376
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCOCC1CCCC1
InChIInChI=1S/C16H24N2O2/c1-12-6-7-14(17)10-15(12)18-16(19)8-9-20-11-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyKRRIFYYVZCNZBQ-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322587
N-(5-amino-2-methylphenyl)-2-(2-cyclobutylethoxy)acetamide
CID 106200107
N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
CID 62116315
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
CID 63115345
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
N-(4-amino-2-chlorophenyl)-2-(cyclopentylmethoxy)acetamide
CID 66324082
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(5-amino-2-methylphenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82961312

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide (CID 66322376) is N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide is Cc1ccc(N)cc1NC(=O)CCOCC1CCCC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide?
The InChIKey is KRRIFYYVZCNZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-7-14(17)10-15(12)18-16(19)8-9-20-11-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide?
N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide has a molecular weight of 276.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide is sourced from PubChem (CID 66322376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).