N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide

C14H15NO — CID 87085186

IUPACN-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide
SMILESC#Cc1ccc([C@H](C)NC(=O)C2CC2)cc1
InChIInChI=1S/C14H15NO/c1-3-11-4-6-12(7-5-11)10(2)15-14(16)13-8-9-13/h1,4-7,10,13H,8-9H2,2H3,(H,15,16)/t10-/m0/s1
InChIKeyGMGQPKGIMZHJOZ-JTQLQIEISA-N
MW213.28 g/mol
LogP2.26
Rot. Bonds3

About N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide

N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide (PubChem CID 87085186) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide
PubChem CID87085186
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide
SMILESC#Cc1ccc([C@H](C)NC(=O)C2CC2)cc1
InChIInChI=1S/C14H15NO/c1-3-11-4-6-12(7-5-11)10(2)15-14(16)13-8-9-13/h1,4-7,10,13H,8-9H2,2H3,(H,15,16)/t10-/m0/s1
InChIKeyGMGQPKGIMZHJOZ-JTQLQIEISA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.26
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-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[1-(4-ethynylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170438638
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide
CID 58417527
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide (CID 87085186) is N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide is C#Cc1ccc([C@H](C)NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is GMGQPKGIMZHJOZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NO/c1-3-11-4-6-12(7-5-11)10(2)15-14(16)13-8-9-13/h1,4-7,10,13H,8-9H2,2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide?
N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 213.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 87085186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).