2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide

C14H22N2O — CID 60787687

IUPAC2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
SMILESCCC(NC(C)C)(C(N)=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-5-14(13(15)17,16-10(2)3)12-8-6-11(4)7-9-12/h6-10,16H,5H2,1-4H3,(H2,15,17)
InChIKeyXGFYJQPZQLYCHR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.08
Rot. Bonds5

About 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide

2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide (PubChem CID 60787687) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
PubChem CID60787687
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
SMILESCCC(NC(C)C)(C(N)=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-5-14(13(15)17,16-10(2)3)12-8-6-11(4)7-9-12/h6-10,16H,5H2,1-4H3,(H2,15,17)
InChIKeyXGFYJQPZQLYCHR-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(4-methylphenyl)butanamide
CID 60996158
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356
ethyl 2-(4-fluorophenyl)-2-(propan-2-ylamino)butanoate
CID 60786506
2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid
CID 43754189
2-(4-methylphenyl)-2-(2-methylpropylamino)butanoic acid
CID 54894807
4-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanamide
CID 116694539
ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate
CID 60787029
2-(4-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60992126
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
2,2-bis(4-methylphenyl)propanediamide
CID 174721937
2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid
CID 60998424

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide?
The IUPAC name of 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide (CID 60787687) is 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide is CCC(NC(C)C)(C(N)=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide?
The InChIKey is XGFYJQPZQLYCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-14(13(15)17,16-10(2)3)12-8-6-11(4)7-9-12/h6-10,16H,5H2,1-4H3,(H2,15,17).
What are the key properties of 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide?
2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60787687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).