N,2-bis(4-methylphenyl)butanamide

C18H21NO — CID 2750915

IUPACN,2-bis(4-methylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H21NO/c1-4-17(15-9-5-13(2)6-10-15)18(20)19-16-11-7-14(3)8-12-16/h5-12,17H,4H2,1-3H3,(H,19,20)
InChIKeyNAAKOXFMFLWFRG-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.44
Rot. Bonds4

About N,2-bis(4-methylphenyl)butanamide

N,2-bis(4-methylphenyl)butanamide (PubChem CID 2750915) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N,2-bis(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN,2-bis(4-methylphenyl)butanamide
PubChem CID2750915
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN,2-bis(4-methylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H21NO/c1-4-17(15-9-5-13(2)6-10-15)18(20)19-16-11-7-14(3)8-12-16/h5-12,17H,4H2,1-3H3,(H,19,20)
InChIKeyNAAKOXFMFLWFRG-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
CID 123214374
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
N-acetyl-2-(4-methylphenyl)butanamide
CID 176949258
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
CID 110296604
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
CID 6955755

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-methylphenyl)butanamide?
The IUPAC name of N,2-bis(4-methylphenyl)butanamide (CID 2750915) is N,2-bis(4-methylphenyl)butanamide.
What is the SMILES notation for N,2-bis(4-methylphenyl)butanamide?
The canonical SMILES for N,2-bis(4-methylphenyl)butanamide is CCC(C(=O)Nc1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of N,2-bis(4-methylphenyl)butanamide?
The InChIKey is NAAKOXFMFLWFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-17(15-9-5-13(2)6-10-15)18(20)19-16-11-7-14(3)8-12-16/h5-12,17H,4H2,1-3H3,(H,19,20).
What are the key properties of N,2-bis(4-methylphenyl)butanamide?
N,2-bis(4-methylphenyl)butanamide has a molecular weight of 267.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-methylphenyl)butanamide is sourced from PubChem (CID 2750915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).