4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide

C15H24N2O2 — CID 115156209

IUPAC4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C)C)cc1NC(=O)CC(C)CN
InChIInChI=1S/C15H24N2O2/c1-10(2)12-5-6-14(19-4)13(8-12)17-15(18)7-11(3)9-16/h5-6,8,10-11H,7,9,16H2,1-4H3,(H,17,18)
InChIKeySFPDFSQEEBMEBX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.74
Rot. Bonds6

About 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide

4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide (PubChem CID 115156209) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide
PubChem CID115156209
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C)C)cc1NC(=O)CC(C)CN
InChIInChI=1S/C15H24N2O2/c1-10(2)12-5-6-14(19-4)13(8-12)17-15(18)7-11(3)9-16/h5-6,8,10-11H,7,9,16H2,1-4H3,(H,17,18)
InChIKeySFPDFSQEEBMEBX-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide
CID 115156220
2-hydroxy-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115139566
2-(ethylamino)-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115157667
2-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 71156213
5-(5-bromo-2-methoxyanilino)-3-methyl-5-oxopentanoic acid
CID 62964590
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323922
2-(3-amino-2-methylpropyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 66224988
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 37471423
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide (CID 115156209) is 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide is COc1ccc(C(C)C)cc1NC(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide?
The InChIKey is SFPDFSQEEBMEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)12-5-6-14(19-4)13(8-12)17-15(18)7-11(3)9-16/h5-6,8,10-11H,7,9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide?
4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide is sourced from PubChem (CID 115156209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).