3-methyl-N-(3-propan-2-ylphenyl)butanamide

C14H21NO — CID 21491914

IUPAC3-methyl-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H21NO/c1-10(2)8-14(16)15-13-7-5-6-12(9-13)11(3)4/h5-7,9-11H,8H2,1-4H3,(H,15,16)
InChIKeyXGKMSRXKCHCDQV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.79
Rot. Bonds4

About 3-methyl-N-(3-propan-2-ylphenyl)butanamide

3-methyl-N-(3-propan-2-ylphenyl)butanamide (PubChem CID 21491914) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-N-(3-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(3-propan-2-ylphenyl)butanamide
PubChem CID21491914
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methyl-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H21NO/c1-10(2)8-14(16)15-13-7-5-6-12(9-13)11(3)4/h5-7,9-11H,8H2,1-4H3,(H,15,16)
InChIKeyXGKMSRXKCHCDQV-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
CID 47207398
2-(2-hydroxyphenyl)-N-(3-propan-2-ylphenyl)acetamide
CID 78990924
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
CID 51724863
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-propan-2-ylphenyl)butanamide?
The IUPAC name of 3-methyl-N-(3-propan-2-ylphenyl)butanamide (CID 21491914) is 3-methyl-N-(3-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 3-methyl-N-(3-propan-2-ylphenyl)butanamide?
The canonical SMILES for 3-methyl-N-(3-propan-2-ylphenyl)butanamide is CC(C)CC(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of 3-methyl-N-(3-propan-2-ylphenyl)butanamide?
The InChIKey is XGKMSRXKCHCDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)8-14(16)15-13-7-5-6-12(9-13)11(3)4/h5-7,9-11H,8H2,1-4H3,(H,15,16).
What are the key properties of 3-methyl-N-(3-propan-2-ylphenyl)butanamide?
3-methyl-N-(3-propan-2-ylphenyl)butanamide has a molecular weight of 219.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 21491914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).