N,3-bis(4-methylphenyl)butanamide

C18H21NO — CID 2750905

IUPACN,3-bis(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CC(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO/c1-13-4-8-16(9-5-13)15(3)12-18(20)19-17-10-6-14(2)7-11-17/h4-11,15H,12H2,1-3H3,(H,19,20)
InChIKeyLNGVHWRENPWADV-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.44
Rot. Bonds4

About N,3-bis(4-methylphenyl)butanamide

N,3-bis(4-methylphenyl)butanamide (PubChem CID 2750905) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N,3-bis(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN,3-bis(4-methylphenyl)butanamide
PubChem CID2750905
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN,3-bis(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CC(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO/c1-13-4-8-16(9-5-13)15(3)12-18(20)19-17-10-6-14(2)7-11-17/h4-11,15H,12H2,1-3H3,(H,19,20)
InChIKeyLNGVHWRENPWADV-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

(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
N-methyl-3-(4-methylphenyl)butanamide
CID 82075625
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
4-amino-3-methyl-N-(4-methylphenyl)-4-sulfanylidenebutanamide
CID 82116781
methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
CID 110178597
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353

Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-methylphenyl)butanamide?
The IUPAC name of N,3-bis(4-methylphenyl)butanamide (CID 2750905) is N,3-bis(4-methylphenyl)butanamide.
What is the SMILES notation for N,3-bis(4-methylphenyl)butanamide?
The canonical SMILES for N,3-bis(4-methylphenyl)butanamide is Cc1ccc(NC(=O)CC(C)c2ccc(C)cc2)cc1.
What is the InChIKey of N,3-bis(4-methylphenyl)butanamide?
The InChIKey is LNGVHWRENPWADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-4-8-16(9-5-13)15(3)12-18(20)19-17-10-6-14(2)7-11-17/h4-11,15H,12H2,1-3H3,(H,19,20).
What are the key properties of N,3-bis(4-methylphenyl)butanamide?
N,3-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,3-bis(4-methylphenyl)butanamide is sourced from PubChem (CID 2750905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).