N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide

C19H23NO — CID 21488716

IUPACN-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
SMILESCCN(C(=O)CC(C)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C19H23NO/c1-4-20(18-12-8-9-15(2)13-18)19(21)14-16(3)17-10-6-5-7-11-17/h5-13,16H,4,14H2,1-3H3
InChIKeyUKKHTTWPPBMBMV-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.54
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide

N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide (PubChem CID 21488716) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
PubChem CID21488716
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
SMILESCCN(C(=O)CC(C)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C19H23NO/c1-4-20(18-12-8-9-15(2)13-18)19(21)14-16(3)17-10-6-5-7-11-17/h5-13,16H,4,14H2,1-3H3
InChIKeyUKKHTTWPPBMBMV-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150932
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109023151
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 112684612
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide (CID 21488716) is N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide is CCN(C(=O)CC(C)c1ccccc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide?
The InChIKey is UKKHTTWPPBMBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-20(18-12-8-9-15(2)13-18)19(21)14-16(3)17-10-6-5-7-11-17/h5-13,16H,4,14H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide?
N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide has a molecular weight of 281.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 21488716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).