N-ethyl-3-(prop-2-ynylamino)benzamide

C12H14N2O — CID 60681699

IUPACN-ethyl-3-(prop-2-ynylamino)benzamide
SMILESC#CCNc1cccc(C(=O)NCC)c1
InChIInChI=1S/C12H14N2O/c1-3-8-14-11-7-5-6-10(9-11)12(15)13-4-2/h1,5-7,9,14H,4,8H2,2H3,(H,13,15)
InChIKeyUVTMWQGZXIHLLV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.48
Rot. Bonds4

About N-ethyl-3-(prop-2-ynylamino)benzamide

N-ethyl-3-(prop-2-ynylamino)benzamide (PubChem CID 60681699) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-ethyl-3-(prop-2-ynylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(prop-2-ynylamino)benzamide
PubChem CID60681699
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-ethyl-3-(prop-2-ynylamino)benzamide
SMILESC#CCNc1cccc(C(=O)NCC)c1
InChIInChI=1S/C12H14N2O/c1-3-8-14-11-7-5-6-10(9-11)12(15)13-4-2/h1,5-7,9,14H,4,8H2,2H3,(H,13,15)
InChIKeyUVTMWQGZXIHLLV-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78912963
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
3-(ethylamino)-N-propylbenzamide
CID 43676038
N-ethyl-3-(2-methylpentylamino)benzamide
CID 43680679
N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
N-ethyl-3-hydroxybenzamide
CID 13175248
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 43680780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(prop-2-ynylamino)benzamide?
The IUPAC name of N-ethyl-3-(prop-2-ynylamino)benzamide (CID 60681699) is N-ethyl-3-(prop-2-ynylamino)benzamide.
What is the SMILES notation for N-ethyl-3-(prop-2-ynylamino)benzamide?
The canonical SMILES for N-ethyl-3-(prop-2-ynylamino)benzamide is C#CCNc1cccc(C(=O)NCC)c1.
What is the InChIKey of N-ethyl-3-(prop-2-ynylamino)benzamide?
The InChIKey is UVTMWQGZXIHLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-8-14-11-7-5-6-10(9-11)12(15)13-4-2/h1,5-7,9,14H,4,8H2,2H3,(H,13,15).
What are the key properties of N-ethyl-3-(prop-2-ynylamino)benzamide?
N-ethyl-3-(prop-2-ynylamino)benzamide has a molecular weight of 202.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(prop-2-ynylamino)benzamide is sourced from PubChem (CID 60681699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).