4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide

C15H24N2O2 — CID 81075304

IUPAC4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
SMILESCC(C)COc1cccc(NC(=O)CC(C)CN)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)10-19-14-6-4-5-13(8-14)17-15(18)7-12(3)9-16/h4-6,8,11-12H,7,9-10,16H2,1-3H3,(H,17,18)
InChIKeyMRYKJTDTXZAUFW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.64
Rot. Bonds7

About 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide

4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide (PubChem CID 81075304) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
PubChem CID81075304
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
SMILESCC(C)COc1cccc(NC(=O)CC(C)CN)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)10-19-14-6-4-5-13(8-14)17-15(18)7-12(3)9-16/h4-6,8,11-12H,7,9-10,16H2,1-3H3,(H,17,18)
InChIKeyMRYKJTDTXZAUFW-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
methyl 4-[3-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17079568
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958455
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide (CID 81075304) is 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide is CC(C)COc1cccc(NC(=O)CC(C)CN)c1.
What is the InChIKey of 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
The InChIKey is MRYKJTDTXZAUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)10-19-14-6-4-5-13(8-14)17-15(18)7-12(3)9-16/h4-6,8,11-12H,7,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide is sourced from PubChem (CID 81075304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).