N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide

C15H24N2O2 — CID 119995673

IUPACN-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCC(C)CN)cc1
InChIInChI=1S/C15H24N2O2/c1-11(9-16)10-17-15(18)8-12(2)13-4-6-14(19-3)7-5-13/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)
InChIKeySUHJFXNWZUZMEL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.90
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide

N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide (PubChem CID 119995673) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide
PubChem CID119995673
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCC(C)CN)cc1
InChIInChI=1S/C15H24N2O2/c1-11(9-16)10-17-15(18)8-12(2)13-4-6-14(19-3)7-5-13/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)
InChIKeySUHJFXNWZUZMEL-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
4-[3-(4-aminophenyl)butanoylamino]-3-methylbutanoic acid
CID 104502854
N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119567108
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
(3S)-4-hydroxy-3-[3-(4-methoxyphenyl)butanoylamino]butanoic acid
CID 146076841
3-[3-(4-methoxyphenyl)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701155
N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
CID 120603471
N-(3-amino-2-methylpropyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 115271689
3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110307646
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide (CID 119995673) is N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide is COc1ccc(C(C)CC(=O)NCC(C)CN)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide?
The InChIKey is SUHJFXNWZUZMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(9-16)10-17-15(18)8-12(2)13-4-6-14(19-3)7-5-13/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide?
N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 119995673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).