N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide

C19H23NO — CID 43011406

IUPACN-[(3,4-dimethylphenyl)-phenylmethyl]butanamide
SMILESCCCC(=O)NC(c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H23NO/c1-4-8-18(21)20-19(16-9-6-5-7-10-16)17-12-11-14(2)15(3)13-17/h5-7,9-13,19H,4,8H2,1-3H3,(H,20,21)
InChIKeyJNLYROKLRPXJMV-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.31
Rot. Bonds5

About N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide

N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide (PubChem CID 43011406) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-phenylmethyl]butanamide
PubChem CID43011406
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(3,4-dimethylphenyl)-phenylmethyl]butanamide
SMILESCCCC(=O)NC(c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H23NO/c1-4-8-18(21)20-19(16-9-6-5-7-10-16)17-12-11-14(2)15(3)13-17/h5-7,9-13,19H,4,8H2,1-3H3,(H,20,21)
InChIKeyJNLYROKLRPXJMV-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32576772
3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133186877
(3S)-3-(carbamoylamino)-N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-3-phenylpropanamide
CID 32576695
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
CID 32576120
4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
CID 55527015
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 26177688

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide?
The IUPAC name of N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide (CID 43011406) is N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide is CCCC(=O)NC(c1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide?
The InChIKey is JNLYROKLRPXJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-8-18(21)20-19(16-9-6-5-7-10-16)17-12-11-14(2)15(3)13-17/h5-7,9-13,19H,4,8H2,1-3H3,(H,20,21).
What are the key properties of N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide?
N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide has a molecular weight of 281.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 43011406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).