N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide

C22H28N2O2 — CID 33025303

IUPACN-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-4-17-5-7-18(8-6-17)9-14-21(25)23-19-10-12-20(13-11-19)24-22(26)15-16(2)3/h5-8,10-13,16H,4,9,14-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPAHNMXIPLQTRJR-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.80
Rot. Bonds8

About N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide

N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide (PubChem CID 33025303) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
PubChem CID33025303
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-4-17-5-7-18(8-6-17)9-14-21(25)23-19-10-12-20(13-11-19)24-22(26)15-16(2)3/h5-8,10-13,16H,4,9,14-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPAHNMXIPLQTRJR-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474
N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33036873
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
CID 109013160
N,3-bis(4-methylphenyl)propanamide
CID 19220434
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
3-[4-(3-methylpentanoylamino)phenyl]propanoic acid
CID 114873832
2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233586

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide (CID 33025303) is N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide is CCc1ccc(CCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide?
The InChIKey is PAHNMXIPLQTRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-17-5-7-18(8-6-17)9-14-21(25)23-19-10-12-20(13-11-19)24-22(26)15-16(2)3/h5-8,10-13,16H,4,9,14-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide?
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide has a molecular weight of 352.48 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 33025303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).