3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide

C28H26N2O2 — CID 1010239

IUPAC3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cccc2c(NC(=O)CCc3ccccc3)cccc12
InChIInChI=1S/C28H26N2O2/c31-27(19-17-21-9-3-1-4-10-21)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(32)20-18-22-11-5-2-6-12-22/h1-16H,17-20H2,(H,29,31)(H,30,32)
InChIKeyFKVYLEDAGNMELY-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.98
Rot. Bonds8

About 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide

3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide (PubChem CID 1010239) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
PubChem CID1010239
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cccc2c(NC(=O)CCc3ccccc3)cccc12
InChIInChI=1S/C28H26N2O2/c31-27(19-17-21-9-3-1-4-10-21)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(32)20-18-22-11-5-2-6-12-22/h1-16H,17-20H2,(H,29,31)(H,30,32)
InChIKeyFKVYLEDAGNMELY-UHFFFAOYSA-N
XLogP5.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
N,N'-dinaphthalen-1-ylbutanediamide
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2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
CID 59836533
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide
CID 177391846
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3-phenylpropanamide
CID 1041271

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide?
The IUPAC name of 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide (CID 1010239) is 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide is O=C(CCc1ccccc1)Nc1cccc2c(NC(=O)CCc3ccccc3)cccc12.
What is the InChIKey of 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide?
The InChIKey is FKVYLEDAGNMELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c31-27(19-17-21-9-3-1-4-10-21)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(32)20-18-22-11-5-2-6-12-22/h1-16H,17-20H2,(H,29,31)(H,30,32).
What are the key properties of 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide?
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide is sourced from PubChem (CID 1010239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).