N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide

C15H24N2O2 — CID 109012203

IUPACN-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCCCCNC(=O)CCNCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-10-17-15(18)9-11-16-12-13-5-7-14(19-2)8-6-13/h5-8,16H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyDCTITRVEEBABKC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds9

About N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide

N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide (PubChem CID 109012203) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
PubChem CID109012203
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCCCCNC(=O)CCNCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-10-17-15(18)9-11-16-12-13-5-7-14(19-2)8-6-13/h5-8,16H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyDCTITRVEEBABKC-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
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

N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959
N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 61059305
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide (CID 109012203) is N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide is CCCCNC(=O)CCNCc1ccc(OC)cc1.
What is the InChIKey of N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide?
The InChIKey is DCTITRVEEBABKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-10-17-15(18)9-11-16-12-13-5-7-14(19-2)8-6-13/h5-8,16H,3-4,9-12H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide?
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109012203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).