N-hept-2-ynylbenzamide

C14H17NO — CID 102291976

IUPACN-hept-2-ynylbenzamide
SMILESCCCCC#CCNC(=O)c1ccccc1
InChIInChI=1S/C14H17NO/c1-2-3-4-5-9-12-15-14(16)13-10-7-6-8-11-13/h6-8,10-11H,2-4,12H2,1H3,(H,15,16)
InChIKeyKINPWVQGGSPIJE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.61
Rot. Bonds4

About N-hept-2-ynylbenzamide

N-hept-2-ynylbenzamide (PubChem CID 102291976) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-hept-2-ynylbenzamide.

Molecular Properties

Compound NameN-hept-2-ynylbenzamide
PubChem CID102291976
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-hept-2-ynylbenzamide
SMILESCCCCC#CCNC(=O)c1ccccc1
InChIInChI=1S/C14H17NO/c1-2-3-4-5-9-12-15-14(16)13-10-7-6-8-11-13/h6-8,10-11H,2-4,12H2,1H3,(H,15,16)
InChIKeyKINPWVQGGSPIJE-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethylbenzamide
CID 160772566
oct-1-en-3-yn-2-ylbenzene
CID 86242377
N-ethylbenzamide;hydrochloride
CID 57444995
N-(2-methyldodec-3-yn-2-yl)benzamide
CID 570272
N'-benzoyl-5-hex-1-ynylfuran-2-carbohydrazide
CID 570001
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
1-(2-hept-2-ynoylphenyl)hept-2-yn-1-one
CID 164666066
N-butyl-4-phenylbenzamide
CID 3637649
(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
CID 118955028
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443

Frequently Asked Questions

What is the IUPAC name of N-hept-2-ynylbenzamide?
The IUPAC name of N-hept-2-ynylbenzamide (CID 102291976) is N-hept-2-ynylbenzamide.
What is the SMILES notation for N-hept-2-ynylbenzamide?
The canonical SMILES for N-hept-2-ynylbenzamide is CCCCC#CCNC(=O)c1ccccc1.
What is the InChIKey of N-hept-2-ynylbenzamide?
The InChIKey is KINPWVQGGSPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-4-5-9-12-15-14(16)13-10-7-6-8-11-13/h6-8,10-11H,2-4,12H2,1H3,(H,15,16).
What are the key properties of N-hept-2-ynylbenzamide?
N-hept-2-ynylbenzamide has a molecular weight of 215.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-2-ynylbenzamide is sourced from PubChem (CID 102291976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).