N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide

C18H25NO — CID 134967670

IUPACN,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide
SMILESCCCCN(CCCC)C(=O)C#Cc1ccc(C)cc1
InChIInChI=1S/C18H25NO/c1-4-6-14-19(15-7-5-2)18(20)13-12-17-10-8-16(3)9-11-17/h8-11H,4-7,14-15H2,1-3H3
InChIKeySWECLSGFVOUGJD-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.78
Rot. Bonds6

About N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide

N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide (PubChem CID 134967670) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide
PubChem CID134967670
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide
SMILESCCCCN(CCCC)C(=O)C#Cc1ccc(C)cc1
InChIInChI=1S/C18H25NO/c1-4-6-14-19(15-7-5-2)18(20)13-12-17-10-8-16(3)9-11-17/h8-11H,4-7,14-15H2,1-3H3
InChIKeySWECLSGFVOUGJD-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.78
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

N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816084
1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 19899706
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
2-(dibutylamino)-1-(4-methylphenyl)ethanone
CID 43219615
1,1-dibutyl-3-[(4-methylphenyl)methyl]urea
CID 108899090
ethyl 2-[3-phenylprop-2-ynoyl(propyl)amino]acetate
CID 61008491
1,1,1-trifluoro-4-(4-methylphenyl)but-3-yn-2-one
CID 11481265
1-butyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-propylurea
CID 108874571
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
4-[4-(4-pentylphenyl)phenyl]but-3-yn-2-one
CID 20673193
(4-methylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate
CID 19027320
methyl 2-[3-phenylprop-2-ynoyl(propyl)amino]acetate
CID 55005905

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide?
The IUPAC name of N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide (CID 134967670) is N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide.
What is the SMILES notation for N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide?
The canonical SMILES for N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide is CCCCN(CCCC)C(=O)C#Cc1ccc(C)cc1.
What is the InChIKey of N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide?
The InChIKey is SWECLSGFVOUGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-6-14-19(15-7-5-2)18(20)13-12-17-10-8-16(3)9-11-17/h8-11H,4-7,14-15H2,1-3H3.
What are the key properties of N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide?
N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide has a molecular weight of 271.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-(4-methylphenyl)prop-2-ynamide is sourced from PubChem (CID 134967670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).