1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide

C15H15NO2 — CID 101498342

IUPAC1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide
SMILESC#CCN(C(=O)C1(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-3-11-16(13-7-5-4-6-8-13)14(18)15(9-10-15)12(2)17/h1,4-8H,9-11H2,2H3
InChIKeyNDAGUSGCKGZFAE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.02
Rot. Bonds4

About 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide

1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide (PubChem CID 101498342) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide
PubChem CID101498342
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide
SMILESC#CCN(C(=O)C1(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-3-11-16(13-7-5-4-6-8-13)14(18)15(9-10-15)12(2)17/h1,4-8H,9-11H2,2H3
InChIKeyNDAGUSGCKGZFAE-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide
CID 12581419
N-phenyl-N-(prop-2-ynoxymethyl)acetamide
CID 163468588
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108975315
N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108973986
2-(N-prop-2-ynylanilino)acetic acid
CID 60839094
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045
1-N-cyclopentyl-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971848
1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108974862
N-(2-aminophenyl)-N-prop-2-ynylacetamide
CID 45119558
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
1-(cyanomethyl)-1,3-dimethyl-3-phenylurea
CID 102316457
1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981840

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide?
The IUPAC name of 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide (CID 101498342) is 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide?
The canonical SMILES for 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide is C#CCN(C(=O)C1(C(C)=O)CC1)c1ccccc1.
What is the InChIKey of 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide?
The InChIKey is NDAGUSGCKGZFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-11-16(13-7-5-4-6-8-13)14(18)15(9-10-15)12(2)17/h1,4-8H,9-11H2,2H3.
What are the key properties of 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide?
1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-phenyl-N-prop-2-ynylcyclopropane-1-carboxamide is sourced from PubChem (CID 101498342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).