N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide

C15H17NO — CID 115661895

IUPACN-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
SMILESC#CCC(C)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H17NO/c1-3-7-12(2)16-14(17)15(10-11-15)13-8-5-4-6-9-13/h1,4-6,8-9,12H,7,10-11H2,2H3,(H,16,17)
InChIKeyOKQGALITHAVLSJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.25
Rot. Bonds4

About N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide

N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide (PubChem CID 115661895) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
PubChem CID115661895
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
SMILESC#CCC(C)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H17NO/c1-3-7-12(2)16-14(17)15(10-11-15)13-8-5-4-6-9-13/h1,4-6,8-9,12H,7,10-11H2,2H3,(H,16,17)
InChIKeyOKQGALITHAVLSJ-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 95639214
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
1-phenyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]cyclopropane-1-carboxamide
CID 95593407
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]pent-4-ynoic acid
CID 115913879
N-(1-amino-1-sulfanylidenepropan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 62881236
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide (CID 115661895) is N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide is C#CCC(C)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is OKQGALITHAVLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-7-12(2)16-14(17)15(10-11-15)13-8-5-4-6-9-13/h1,4-6,8-9,12H,7,10-11H2,2H3,(H,16,17).
What are the key properties of N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide?
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 115661895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).