N-(3-aminophenyl)-3-(N-methylanilino)propanamide

C16H19N3O — CID 16778596

IUPACN-(3-aminophenyl)-3-(N-methylanilino)propanamide
SMILESCN(CCC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(15-8-3-2-4-9-15)11-10-16(20)18-14-7-5-6-13(17)12-14/h2-9,12H,10-11,17H2,1H3,(H,18,20)
InChIKeyDXBXMMMIBPWBGF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.73
Rot. Bonds5

About N-(3-aminophenyl)-3-(N-methylanilino)propanamide

N-(3-aminophenyl)-3-(N-methylanilino)propanamide (PubChem CID 16778596) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(N-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(N-methylanilino)propanamide
PubChem CID16778596
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-aminophenyl)-3-(N-methylanilino)propanamide
SMILESCN(CCC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(15-8-3-2-4-9-15)11-10-16(20)18-14-7-5-6-13(17)12-14/h2-9,12H,10-11,17H2,1H3,(H,18,20)
InChIKeyDXBXMMMIBPWBGF-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.73
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-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide
CID 109034636
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
CID 54817881
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102631553
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(N-methylanilino)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(N-methylanilino)propanamide (CID 16778596) is N-(3-aminophenyl)-3-(N-methylanilino)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(N-methylanilino)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(N-methylanilino)propanamide is CN(CCC(=O)Nc1cccc(N)c1)c1ccccc1.
What is the InChIKey of N-(3-aminophenyl)-3-(N-methylanilino)propanamide?
The InChIKey is DXBXMMMIBPWBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(15-8-3-2-4-9-15)11-10-16(20)18-14-7-5-6-13(17)12-14/h2-9,12H,10-11,17H2,1H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-3-(N-methylanilino)propanamide?
N-(3-aminophenyl)-3-(N-methylanilino)propanamide has a molecular weight of 269.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(N-methylanilino)propanamide is sourced from PubChem (CID 16778596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).