3-(dimethylamino)-N-pent-3-ynylbenzamide

C14H18N2O — CID 115977332

IUPAC3-(dimethylamino)-N-pent-3-ynylbenzamide
SMILESCC#CCCNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H18N2O/c1-4-5-6-10-15-14(17)12-8-7-9-13(11-12)16(2)3/h7-9,11H,6,10H2,1-3H3,(H,15,17)
InChIKeyHVIVXQFRFBFIDP-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.90
Rot. Bonds4

About 3-(dimethylamino)-N-pent-3-ynylbenzamide

3-(dimethylamino)-N-pent-3-ynylbenzamide (PubChem CID 115977332) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(dimethylamino)-N-pent-3-ynylbenzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-pent-3-ynylbenzamide
PubChem CID115977332
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(dimethylamino)-N-pent-3-ynylbenzamide
SMILESCC#CCCNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H18N2O/c1-4-5-6-10-15-14(17)12-8-7-9-13(11-12)16(2)3/h7-9,11H,6,10H2,1-3H3,(H,15,17)
InChIKeyHVIVXQFRFBFIDP-UHFFFAOYSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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CID 43089726
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3-(dimethylamino)-N-(3-phenylpropyl)benzamide
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3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
N-pent-3-ynyl-3-propoxybenzamide
CID 115977193
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N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
CID 55102085
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
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CID 62652034

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-pent-3-ynylbenzamide?
The IUPAC name of 3-(dimethylamino)-N-pent-3-ynylbenzamide (CID 115977332) is 3-(dimethylamino)-N-pent-3-ynylbenzamide.
What is the SMILES notation for 3-(dimethylamino)-N-pent-3-ynylbenzamide?
The canonical SMILES for 3-(dimethylamino)-N-pent-3-ynylbenzamide is CC#CCCNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-pent-3-ynylbenzamide?
The InChIKey is HVIVXQFRFBFIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-5-6-10-15-14(17)12-8-7-9-13(11-12)16(2)3/h7-9,11H,6,10H2,1-3H3,(H,15,17).
What are the key properties of 3-(dimethylamino)-N-pent-3-ynylbenzamide?
3-(dimethylamino)-N-pent-3-ynylbenzamide has a molecular weight of 230.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-pent-3-ynylbenzamide is sourced from PubChem (CID 115977332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).