N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide

C18H23N3O — CID 18070061

IUPACN-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1cccc(N)c1)Cc1ccccc1
InChIInChI=1S/C18H23N3O/c1-21(14-15-7-3-2-4-8-15)12-6-11-18(22)20-17-10-5-9-16(19)13-17/h2-5,7-10,13H,6,11-12,14,19H2,1H3,(H,20,22)
InChIKeyNLZDXMXAKSLBPT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.12
Rot. Bonds7

About N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide

N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide (PubChem CID 18070061) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
PubChem CID18070061
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1cccc(N)c1)Cc1ccccc1
InChIInChI=1S/C18H23N3O/c1-21(14-15-7-3-2-4-8-15)12-6-11-18(22)20-17-10-5-9-16(19)13-17/h2-5,7-10,13H,6,11-12,14,19H2,1H3,(H,20,22)
InChIKeyNLZDXMXAKSLBPT-UHFFFAOYSA-N
XLogP3.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.12
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-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79385176
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569671
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533
4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
CID 18447148
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
4-[methyl(nonyl)amino]-N-[3-[[3-[4-[methyl(nonyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139954348
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide?
The IUPAC name of N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide (CID 18070061) is N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide is CN(CCCC(=O)Nc1cccc(N)c1)Cc1ccccc1.
What is the InChIKey of N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide?
The InChIKey is NLZDXMXAKSLBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(14-15-7-3-2-4-8-15)12-6-11-18(22)20-17-10-5-9-16(19)13-17/h2-5,7-10,13H,6,11-12,14,19H2,1H3,(H,20,22).
What are the key properties of N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide?
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide has a molecular weight of 297.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide is sourced from PubChem (CID 18070061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).