4-(2-aminophenyl)-N-methylpentanamide

C12H18N2O — CID 143020696

IUPAC4-(2-aminophenyl)-N-methylpentanamide
SMILESCNC(=O)CCC(C)c1ccccc1N
InChIInChI=1S/C12H18N2O/c1-9(7-8-12(15)14-2)10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyLANFGMZKARDKOA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.90
Rot. Bonds4

About 4-(2-aminophenyl)-N-methylpentanamide

4-(2-aminophenyl)-N-methylpentanamide (PubChem CID 143020696) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(2-aminophenyl)-N-methylpentanamide.

Molecular Properties

Compound Name4-(2-aminophenyl)-N-methylpentanamide
PubChem CID143020696
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(2-aminophenyl)-N-methylpentanamide
SMILESCNC(=O)CCC(C)c1ccccc1N
InChIInChI=1S/C12H18N2O/c1-9(7-8-12(15)14-2)10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyLANFGMZKARDKOA-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4,4-diphenylbutanamide
CID 125470248
acetic acid;(3R)-3-(2-aminophenyl)butanoic acid
CID 67106940
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-(2-aminophenyl)-2-chloro-N-methylacetamide
CID 155233545
2-hex-5-en-2-ylaniline
CID 101407888
2-(1-aminopropan-2-yl)aniline;dihydrochloride
CID 131857142
4,4-bis(2-aminophenyl)butanoic acid
CID 139607855
2-(1-methylsulfonylpropan-2-yl)aniline
CID 115028443
2,8-bis(2-hydroxyphenyl)nonan-5-one
CID 150620616
2-(2-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
CID 112516272

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-N-methylpentanamide?
The IUPAC name of 4-(2-aminophenyl)-N-methylpentanamide (CID 143020696) is 4-(2-aminophenyl)-N-methylpentanamide.
What is the SMILES notation for 4-(2-aminophenyl)-N-methylpentanamide?
The canonical SMILES for 4-(2-aminophenyl)-N-methylpentanamide is CNC(=O)CCC(C)c1ccccc1N.
What is the InChIKey of 4-(2-aminophenyl)-N-methylpentanamide?
The InChIKey is LANFGMZKARDKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(7-8-12(15)14-2)10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-aminophenyl)-N-methylpentanamide?
4-(2-aminophenyl)-N-methylpentanamide has a molecular weight of 206.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-N-methylpentanamide is sourced from PubChem (CID 143020696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).