N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide

C12H19N3O — CID 16792974

IUPACN-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
SMILESCc1c(N)cccc1NC(=O)CCN(C)C
InChIInChI=1S/C12H19N3O/c1-9-10(13)5-4-6-11(9)14-12(16)7-8-15(2)3/h4-6H,7-8,13H2,1-3H3,(H,14,16)
InChIKeyNFASZUPVCXYZHU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.47
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide

N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide (PubChem CID 16792974) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
PubChem CID16792974
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
SMILESCc1c(N)cccc1NC(=O)CCN(C)C
InChIInChI=1S/C12H19N3O/c1-9-10(13)5-4-6-11(9)14-12(16)7-8-15(2)3/h4-6H,7-8,13H2,1-3H3,(H,14,16)
InChIKeyNFASZUPVCXYZHU-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.47
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

N-(3-amino-2-methylphenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985430
N-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16783456
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741
N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914626
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-(3-amino-2-methylphenyl)-4-[1-cyclopropylethyl(methyl)amino]butanamide
CID 43568706
N-(3-amino-2-methylphenyl)-3-tert-butylsulfinylpropanamide
CID 61304225
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide (CID 16792974) is N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide is Cc1c(N)cccc1NC(=O)CCN(C)C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide?
The InChIKey is NFASZUPVCXYZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-10(13)5-4-6-11(9)14-12(16)7-8-15(2)3/h4-6H,7-8,13H2,1-3H3,(H,14,16).
What are the key properties of N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide?
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide is sourced from PubChem (CID 16792974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).