2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide

C15H25N3O2 — CID 62475149

IUPAC2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
SMILESCOCCC(N)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-18(13-7-4-3-5-8-13)11-6-10-17-15(19)14(16)9-12-20-2/h3-5,7-8,14H,6,9-12,16H2,1-2H3,(H,17,19)
InChIKeyIJGYQOLGUOWMJH-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.99
Rot. Bonds9

About 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide

2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide (PubChem CID 62475149) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
PubChem CID62475149
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
SMILESCOCCC(N)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-18(13-7-4-3-5-8-13)11-6-10-17-15(19)14(16)9-12-20-2/h3-5,7-8,14H,6,9-12,16H2,1-2H3,(H,17,19)
InChIKeyIJGYQOLGUOWMJH-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide
CID 104906752
2-amino-N-[3-(N-methylanilino)propyl]butanediamide
CID 60848085
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
CID 43089244
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
CID 104908153
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-(2-methoxyphenyl)-N-[3-(N-methylanilino)propyl]acetamide
CID 31103541
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide (CID 62475149) is 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide is COCCC(N)C(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide?
The InChIKey is IJGYQOLGUOWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-18(13-7-4-3-5-8-13)11-6-10-17-15(19)14(16)9-12-20-2/h3-5,7-8,14H,6,9-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide?
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide has a molecular weight of 279.38 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide is sourced from PubChem (CID 62475149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).