3-amino-N-[3-(N-methylanilino)propyl]butanamide

C14H23N3O — CID 60835666

IUPAC3-amino-N-[3-(N-methylanilino)propyl]butanamide
SMILESCC(N)CC(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-12(15)11-14(18)16-9-6-10-17(2)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3,(H,16,18)
InChIKeyANULAEHUXYLNSO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.37
Rot. Bonds7

About 3-amino-N-[3-(N-methylanilino)propyl]butanamide

3-amino-N-[3-(N-methylanilino)propyl]butanamide (PubChem CID 60835666) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-N-[3-(N-methylanilino)propyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-(N-methylanilino)propyl]butanamide
PubChem CID60835666
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-N-[3-(N-methylanilino)propyl]butanamide
SMILESCC(N)CC(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-12(15)11-14(18)16-9-6-10-17(2)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3,(H,16,18)
InChIKeyANULAEHUXYLNSO-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
2-amino-N-[3-(N-methylanilino)propyl]butanediamide
CID 60848085
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
CID 62475149
(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide
CID 104906752
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(N-methylanilino)propyl]butanamide?
The IUPAC name of 3-amino-N-[3-(N-methylanilino)propyl]butanamide (CID 60835666) is 3-amino-N-[3-(N-methylanilino)propyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-(N-methylanilino)propyl]butanamide?
The canonical SMILES for 3-amino-N-[3-(N-methylanilino)propyl]butanamide is CC(N)CC(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-(N-methylanilino)propyl]butanamide?
The InChIKey is ANULAEHUXYLNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(15)11-14(18)16-9-6-10-17(2)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[3-(N-methylanilino)propyl]butanamide?
3-amino-N-[3-(N-methylanilino)propyl]butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(N-methylanilino)propyl]butanamide is sourced from PubChem (CID 60835666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).