N-(4-methylphenyl)prop-2-ynamide

C10H9NO — CID 14491742

IUPACN-(4-methylphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C10H9NO/c1-3-10(12)11-9-6-4-8(2)5-7-9/h1,4-7H,2H3,(H,11,12)
InChIKeyNGZCVHKGZSOVJM-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.57
Rot. Bonds1

About N-(4-methylphenyl)prop-2-ynamide

N-(4-methylphenyl)prop-2-ynamide (PubChem CID 14491742) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is N-(4-methylphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(4-methylphenyl)prop-2-ynamide
PubChem CID14491742
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC NameN-(4-methylphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C10H9NO/c1-3-10(12)11-9-6-4-8(2)5-7-9/h1,4-7H,2H3,(H,11,12)
InChIKeyNGZCVHKGZSOVJM-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.57
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-cyanophenyl)prop-2-ynamide
CID 131045774
N-(4-methylphenyl)acetamide
CID 7684
methyl 2-[4-(prop-2-ynoylamino)phenyl]acetate
CID 126853006
N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide
CID 61284929
N-cyano-N'-(4-methylphenyl)oxamide
CID 79195305
N-(4-methylphenyl)pent-4-ynamide
CID 82363120
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
1-methyl-4-(sulfinoamino)benzene
CID 19072501
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)prop-2-ynamide?
The IUPAC name of N-(4-methylphenyl)prop-2-ynamide (CID 14491742) is N-(4-methylphenyl)prop-2-ynamide.
What is the SMILES notation for N-(4-methylphenyl)prop-2-ynamide?
The canonical SMILES for N-(4-methylphenyl)prop-2-ynamide is C#CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)prop-2-ynamide?
The InChIKey is NGZCVHKGZSOVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-3-10(12)11-9-6-4-8(2)5-7-9/h1,4-7H,2H3,(H,11,12).
What are the key properties of N-(4-methylphenyl)prop-2-ynamide?
N-(4-methylphenyl)prop-2-ynamide has a molecular weight of 159.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)prop-2-ynamide is sourced from PubChem (CID 14491742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).