4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide

C16H26N2O2 — CID 103154671

IUPAC4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
SMILESCOC(CN)CC(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-15(13-7-5-4-6-8-13)18-16(19)10-14(11-17)20-3/h4-8,12,14-15H,9-11,17H2,1-3H3,(H,18,19)
InChIKeyQICKPBJLPAONIU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds8

About 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide

4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide (PubChem CID 103154671) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
PubChem CID103154671
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
SMILESCOC(CN)CC(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-15(13-7-5-4-6-8-13)18-16(19)10-14(11-17)20-3/h4-8,12,14-15H,9-11,17H2,1-3H3,(H,18,19)
InChIKeyQICKPBJLPAONIU-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591392
methyl 4-[(4-amino-3-methoxybutanoyl)amino]-4-phenylbutanoate
CID 120591892
4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide
CID 120592001
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 120595471
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
CID 120591337
4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
CID 120594898
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide (CID 103154671) is 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide is COC(CN)CC(=O)NC(CC(C)C)c1ccccc1.
What is the InChIKey of 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide?
The InChIKey is QICKPBJLPAONIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)9-15(13-7-5-4-6-8-13)18-16(19)10-14(11-17)20-3/h4-8,12,14-15H,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide?
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide is sourced from PubChem (CID 103154671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).