N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide

C18H16N2O2 — CID 18156676

IUPACN-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide
SMILESC#CCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-2-12-19-17(21)13-20-18(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h1,3-11H,12-13H2,(H,19,21)(H,20,22)
InChIKeyDLMPFNXSNNYXBS-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.83
Rot. Bonds5

About N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide

N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide (PubChem CID 18156676) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide
PubChem CID18156676
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide
SMILESC#CCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-2-12-19-17(21)13-20-18(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h1,3-11H,12-13H2,(H,19,21)(H,20,22)
InChIKeyDLMPFNXSNNYXBS-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.83
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

4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110113
N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide
CID 18169121
4-(4-ethynylphenyl)-N-prop-2-ynylbenzamide
CID 138484608
N-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55959369
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 36941546
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide
CID 51218463

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide (CID 18156676) is N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide is C#CCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide?
The InChIKey is DLMPFNXSNNYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-12-19-17(21)13-20-18(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h1,3-11H,12-13H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide?
N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide is sourced from PubChem (CID 18156676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).