N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide

C14H17N3O2 — CID 78912963

IUPACN-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
SMILESC#CCNCC(=O)Nc1cccc(C(=O)NCC)c1
InChIInChI=1S/C14H17N3O2/c1-3-8-15-10-13(18)17-12-7-5-6-11(9-12)14(19)16-4-2/h1,5-7,9,15H,4,8,10H2,2H3,(H,16,19)(H,17,18)
InChIKeyQBVIYAKBTPAQIA-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.60
Rot. Bonds6

About N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide

N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide (PubChem CID 78912963) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
PubChem CID78912963
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
SMILESC#CCNCC(=O)Nc1cccc(C(=O)NCC)c1
InChIInChI=1S/C14H17N3O2/c1-3-8-15-10-13(18)17-12-7-5-6-11(9-12)14(19)16-4-2/h1,5-7,9,15H,4,8,10H2,2H3,(H,16,19)(H,17,18)
InChIKeyQBVIYAKBTPAQIA-UHFFFAOYSA-N
XLogP0.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226
methyl 3-[[2-(prop-2-ynylamino)acetyl]amino]benzoate
CID 71627760
N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287328
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
3-acetamido-N-ethylbenzamide
CID 17230670
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide (CID 78912963) is N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide is C#CCNCC(=O)Nc1cccc(C(=O)NCC)c1.
What is the InChIKey of N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide?
The InChIKey is QBVIYAKBTPAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-8-15-10-13(18)17-12-7-5-6-11(9-12)14(19)16-4-2/h1,5-7,9,15H,4,8,10H2,2H3,(H,16,19)(H,17,18).
What are the key properties of N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide?
N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide has a molecular weight of 259.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide is sourced from PubChem (CID 78912963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).