4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide

C15H24N2O2 — CID 103154546

IUPAC4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
SMILESCCC(C)c1ccc(NC(=O)CC(CN)OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-11(2)12-5-7-13(8-6-12)17-15(18)9-14(10-16)19-3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyHHCWZKNILQXHBL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.50
Rot. Bonds7

About 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide

4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide (PubChem CID 103154546) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
PubChem CID103154546
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
SMILESCCC(C)c1ccc(NC(=O)CC(CN)OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-11(2)12-5-7-13(8-6-12)17-15(18)9-14(10-16)19-3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyHHCWZKNILQXHBL-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120587324
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587323
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 120587040
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide (CID 103154546) is 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide is CCC(C)c1ccc(NC(=O)CC(CN)OC)cc1.
What is the InChIKey of 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide?
The InChIKey is HHCWZKNILQXHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-11(2)12-5-7-13(8-6-12)17-15(18)9-14(10-16)19-3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide?
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide is sourced from PubChem (CID 103154546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).