N-(1,4-diphenylbutyl)-3-ethoxypropanamide

C21H27NO2 — CID 56502280

IUPACN-(1,4-diphenylbutyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-2-24-17-16-21(23)22-20(19-13-7-4-8-14-19)15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,20H,2,9,12,15-17H2,1H3,(H,22,23)
InChIKeyUTEOEIQNZACOOD-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.29
Rot. Bonds10

About N-(1,4-diphenylbutyl)-3-ethoxypropanamide

N-(1,4-diphenylbutyl)-3-ethoxypropanamide (PubChem CID 56502280) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(1,4-diphenylbutyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(1,4-diphenylbutyl)-3-ethoxypropanamide
PubChem CID56502280
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(1,4-diphenylbutyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-2-24-17-16-21(23)22-20(19-13-7-4-8-14-19)15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,20H,2,9,12,15-17H2,1H3,(H,22,23)
InChIKeyUTEOEIQNZACOOD-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid
CID 62589345
3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7372940
3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride
CID 119341740
N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide
CID 112814215
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-(1,3-diphenylpropyl)-2-(2-methoxyethylamino)acetamide
CID 119737630

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diphenylbutyl)-3-ethoxypropanamide?
The IUPAC name of N-(1,4-diphenylbutyl)-3-ethoxypropanamide (CID 56502280) is N-(1,4-diphenylbutyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(1,4-diphenylbutyl)-3-ethoxypropanamide?
The canonical SMILES for N-(1,4-diphenylbutyl)-3-ethoxypropanamide is CCOCCC(=O)NC(CCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,4-diphenylbutyl)-3-ethoxypropanamide?
The InChIKey is UTEOEIQNZACOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-24-17-16-21(23)22-20(19-13-7-4-8-14-19)15-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,20H,2,9,12,15-17H2,1H3,(H,22,23).
What are the key properties of N-(1,4-diphenylbutyl)-3-ethoxypropanamide?
N-(1,4-diphenylbutyl)-3-ethoxypropanamide has a molecular weight of 325.45 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diphenylbutyl)-3-ethoxypropanamide is sourced from PubChem (CID 56502280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).