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

C15H24N2O2 — CID 64684468

IUPAC3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
SMILESCC(C)COc1cccc(NC(=O)CC(C)(C)N)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)10-19-13-7-5-6-12(8-13)17-14(18)9-15(3,4)16/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyBRQKSXKTGOENSH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.79
Rot. Bonds6

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

3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide (PubChem CID 64684468) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
PubChem CID64684468
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
SMILESCC(C)COc1cccc(NC(=O)CC(C)(C)N)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)10-19-13-7-5-6-12(8-13)17-14(18)9-15(3,4)16/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyBRQKSXKTGOENSH-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
2-amino-2-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 79804776
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide
CID 79792084
4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 81075304
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide (CID 64684468) is 3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide is CC(C)COc1cccc(NC(=O)CC(C)(C)N)c1.
What is the InChIKey of 3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
The InChIKey is BRQKSXKTGOENSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)10-19-13-7-5-6-12(8-13)17-14(18)9-15(3,4)16/h5-8,11H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide?
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide is sourced from PubChem (CID 64684468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).