N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide

C21H24N2O2 — CID 51153212

IUPACN-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCNC(=O)C1CC1
InChIInChI=1S/C21H24N2O2/c24-20(22-13-14-23-21(25)18-11-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,22,24)(H,23,25)
InChIKeyFARZVIIXEYKHNI-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.85
Rot. Bonds8

About N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide

N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide (PubChem CID 51153212) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
PubChem CID51153212
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCNC(=O)C1CC1
InChIInChI=1S/C21H24N2O2/c24-20(22-13-14-23-21(25)18-11-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,22,24)(H,23,25)
InChIKeyFARZVIIXEYKHNI-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
3,3-diphenyl-N-propylpropanamide
CID 4638647
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
N-[2-[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111357216
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[2-(ethylamino)ethyl]-3,3-diphenylpropanamide;hydrochloride
CID 119508377
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 115923610
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide (CID 51153212) is N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide is O=C(CC(c1ccccc1)c1ccccc1)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is FARZVIIXEYKHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(22-13-14-23-21(25)18-11-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide?
N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 51153212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).