N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide

C15H20N2O2 — CID 51165684

IUPACN-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(CCc1ccccc1)NCCNC(=O)C1CC1
InChIInChI=1S/C15H20N2O2/c18-14(9-6-12-4-2-1-3-5-12)16-10-11-17-15(19)13-7-8-13/h1-5,13H,6-11H2,(H,16,18)(H,17,19)
InChIKeyBOIHRLVCMXHLJE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.26
Rot. Bonds7

About N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide

N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide (PubChem CID 51165684) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
PubChem CID51165684
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(CCc1ccccc1)NCCNC(=O)C1CC1
InChIInChI=1S/C15H20N2O2/c18-14(9-6-12-4-2-1-3-5-12)16-10-11-17-15(19)13-7-8-13/h1-5,13H,6-11H2,(H,16,18)(H,17,19)
InChIKeyBOIHRLVCMXHLJE-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.26
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-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-[2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111135196
N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55806046
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553
N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51153212
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 115923610
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149515
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
N-[2-[[2-(2-phenylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 51153241
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide (CID 51165684) is N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide is O=C(CCc1ccccc1)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is BOIHRLVCMXHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14(9-6-12-4-2-1-3-5-12)16-10-11-17-15(19)13-7-8-13/h1-5,13H,6-11H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide?
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 51165684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).