N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide

C16H25N3O — CID 43266810

IUPACN-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN(C)C1CCCC1
InChIInChI=1S/C16H25N3O/c1-12-7-8-13(17)11-15(12)18-16(20)9-10-19(2)14-5-3-4-6-14/h7-8,11,14H,3-6,9-10,17H2,1-2H3,(H,18,20)
InChIKeyCVIORGTWQLIDPK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.78
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide

N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide (PubChem CID 43266810) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
PubChem CID43266810
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN(C)C1CCCC1
InChIInChI=1S/C16H25N3O/c1-12-7-8-13(17)11-15(12)18-16(20)9-10-19(2)14-5-3-4-6-14/h7-8,11,14H,3-6,9-10,17H2,1-2H3,(H,18,20)
InChIKeyCVIORGTWQLIDPK-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 106914620
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N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
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3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
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N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
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N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
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N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide (CID 43266810) is N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide is Cc1ccc(N)cc1NC(=O)CCN(C)C1CCCC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide?
The InChIKey is CVIORGTWQLIDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-7-8-13(17)11-15(12)18-16(20)9-10-19(2)14-5-3-4-6-14/h7-8,11,14H,3-6,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide?
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.78, 5 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-[cyclopentyl(methyl)amino]propanamide is sourced from PubChem (CID 43266810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).