3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide

C15H19NO — CID 167666046

IUPAC3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide
SMILESCN(C)C(=O)C#Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H19NO/c1-15(2,3)13-8-6-7-12(11-13)9-10-14(17)16(4)5/h6-8,11H,1-5H3
InChIKeyUTXXCPQDULNUIH-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.42
Rot. Bonds

About 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide

3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide (PubChem CID 167666046) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide.

Molecular Properties

Compound Name3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide
PubChem CID167666046
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide
SMILESCN(C)C(=O)C#Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H19NO/c1-15(2,3)13-8-6-7-12(11-13)9-10-14(17)16(4)5/h6-8,11H,1-5H3
InChIKeyUTXXCPQDULNUIH-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-tert-butylphenyl)prop-2-ynenitrile
CID 164646726
2-(3-cyanophenyl)-2-methylpropanoic acid
CID 22343997
2-methoxy-2-[3-(2-phenylethynyl)phenyl]propanamide
CID 90706432
alumane;1,3-ditert-butylbenzene
CID 174392215
1-[3-[2-(dimethylamino)ethoxy]phenyl]-4,4-dimethylpent-1-yn-3-one
CID 58408613
N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide
CID 142093725
N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide
CID 154716586
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
3-[2-(5-tert-butyl-2-chlorothiophen-3-yl)ethynyl]-N,N-dimethylbenzamide
CID 166024281
bis[4-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]methanone
CID 175267709
2-(3-tert-butylphenyl)-2,2-difluoroacetic acid
CID 105425731
2-(3-cyanophenyl)-2-methylbutanoyl chloride
CID 117047850

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide?
The IUPAC name of 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide (CID 167666046) is 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide.
What is the SMILES notation for 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide?
The canonical SMILES for 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide is CN(C)C(=O)C#Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide?
The InChIKey is UTXXCPQDULNUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2,3)13-8-6-7-12(11-13)9-10-14(17)16(4)5/h6-8,11H,1-5H3.
What are the key properties of 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide?
3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide has a molecular weight of 229.32 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenyl)-N,N-dimethylprop-2-ynamide is sourced from PubChem (CID 167666046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).