3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide

C27H30N2O — CID 15017990

IUPAC3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide
SMILESO=C(CCC1CC1(c1ccccc1)c1ccccc1)NCCCCc1cccnc1
InChIInChI=1S/C27H30N2O/c30-26(29-19-8-7-10-22-11-9-18-28-21-22)17-16-25-20-27(25,23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-6,9,11-15,18,21,25H,7-8,10,16-17,19-20H2,(H,29,30)
InChIKeyHTIAKJIWAYUAOH-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.31
Rot. Bonds10

About 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide

3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide (PubChem CID 15017990) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide.

Molecular Properties

Compound Name3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide
PubChem CID15017990
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide
SMILESO=C(CCC1CC1(c1ccccc1)c1ccccc1)NCCCCc1cccnc1
InChIInChI=1S/C27H30N2O/c30-26(29-19-8-7-10-22-11-9-18-28-21-22)17-16-25-20-27(25,23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-6,9,11-15,18,21,25H,7-8,10,16-17,19-20H2,(H,29,30)
InChIKeyHTIAKJIWAYUAOH-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.31
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

2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
CID 54241832
(E)-3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
CID 14347611
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide
CID 10195675
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
(1R)-2,2-diphenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 683234
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide?
The IUPAC name of 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide (CID 15017990) is 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide.
What is the SMILES notation for 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide?
The canonical SMILES for 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide is O=C(CCC1CC1(c1ccccc1)c1ccccc1)NCCCCc1cccnc1.
What is the InChIKey of 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide?
The InChIKey is HTIAKJIWAYUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c30-26(29-19-8-7-10-22-11-9-18-28-21-22)17-16-25-20-27(25,23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-6,9,11-15,18,21,25H,7-8,10,16-17,19-20H2,(H,29,30).
What are the key properties of 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide?
3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide has a molecular weight of 398.55 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide is sourced from PubChem (CID 15017990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).