N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide

C15H18N2O2 — CID 78992297

IUPACN-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide
SMILESC#CCN(CCC)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-3-10-17(11-4-2)14(18)12-16-15(19)13-8-6-5-7-9-13/h1,5-9H,4,10-12H2,2H3,(H,16,19)
InChIKeyVXNFGGMOBVDNDL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.29
Rot. Bonds6

About N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide

N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide (PubChem CID 78992297) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide
PubChem CID78992297
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide
SMILESC#CCN(CCC)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-3-10-17(11-4-2)14(18)12-16-15(19)13-8-6-5-7-9-13/h1,5-9H,4,10-12H2,2H3,(H,16,19)
InChIKeyVXNFGGMOBVDNDL-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.29
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-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
CID 115549862
2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
CID 61011831
2-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzoic acid
CID 113431534
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
N-[2-[benzyl(propyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51186348
N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
CID 78915073
3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62825581
2-[[2-[(2-bromobenzoyl)amino]acetyl]-prop-2-ynylamino]acetic acid
CID 79271583
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide (CID 78992297) is N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide is C#CCN(CCC)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide?
The InChIKey is VXNFGGMOBVDNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-10-17(11-4-2)14(18)12-16-15(19)13-8-6-5-7-9-13/h1,5-9H,4,10-12H2,2H3,(H,16,19).
What are the key properties of N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide?
N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide is sourced from PubChem (CID 78992297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).