N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide

C16H22N2O — CID 90552073

IUPACN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#Cc1ccccc1N(C)C
InChIInChI=1S/C16H22N2O/c1-4-5-12-16(19)17-13-8-10-14-9-6-7-11-15(14)18(2)3/h6-7,9,11H,4-5,12-13H2,1-3H3,(H,17,19)
InChIKeySUSUOJDEJXNHGG-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.41
Rot. Bonds5

About N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide (PubChem CID 90552073) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
PubChem CID90552073
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#Cc1ccccc1N(C)C
InChIInChI=1S/C16H22N2O/c1-4-5-12-16(19)17-13-8-10-14-9-6-7-11-15(14)18(2)3/h6-7,9,11H,4-5,12-13H2,1-3H3,(H,17,19)
InChIKeySUSUOJDEJXNHGG-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2,2-dimethylpropanamide
CID 90552074
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide
CID 90552098
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90552237
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide
CID 90552151
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide
CID 90552148
(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
CID 90552022
N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide
CID 90548082
4-(diethylsulfamoyl)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]benzamide
CID 90552189
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90552032
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4-dimethylphenyl)urea
CID 90554417
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea
CID 90554402
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552242

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide?
The IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide (CID 90552073) is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide?
The canonical SMILES for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide is CCCCC(=O)NCC#Cc1ccccc1N(C)C.
What is the InChIKey of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide?
The InChIKey is SUSUOJDEJXNHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-5-12-16(19)17-13-8-10-14-9-6-7-11-15(14)18(2)3/h6-7,9,11H,4-5,12-13H2,1-3H3,(H,17,19).
What are the key properties of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide?
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide has a molecular weight of 258.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide is sourced from PubChem (CID 90552073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).