N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen

C15H19NO — CID 172601239

IUPACN-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen
SMILESCC(C)C#Cc1ccc(NC(=O)C2CC2)cc1.[H][H]
InChIInChI=1S/C15H17NO.H2/c1-11(2)3-4-12-5-9-14(10-6-12)16-15(17)13-7-8-13;/h5-6,9-11,13H,7-8H2,1-2H3,(H,16,17);1H
InChIKeyAXUPGAHPWPZFPC-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.29
Rot. Bonds2

About N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen

N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen (PubChem CID 172601239) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen
PubChem CID172601239
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen
SMILESCC(C)C#Cc1ccc(NC(=O)C2CC2)cc1.[H][H]
InChIInChI=1S/C15H17NO.H2/c1-11(2)3-4-12-5-9-14(10-6-12)16-15(17)13-7-8-13;/h5-6,9-11,13H,7-8H2,1-2H3,(H,16,17);1H
InChIKeyAXUPGAHPWPZFPC-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.29
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

N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 172601240
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
CID 112685719
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
CID 65023222
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen (CID 172601239) is N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen is CC(C)C#Cc1ccc(NC(=O)C2CC2)cc1.[H][H].
What is the InChIKey of N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is AXUPGAHPWPZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.H2/c1-11(2)3-4-12-5-9-14(10-6-12)16-15(17)13-7-8-13;/h5-6,9-11,13H,7-8H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen?
N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 229.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 172601239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).