N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide

C17H18N2O3 — CID 18169121

IUPACN-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide
SMILESCCONC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-2-22-19-16(20)12-18-17(21)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,21)(H,19,20)
InChIKeySPKVDIBANHRYPN-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide

N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide (PubChem CID 18169121) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide
PubChem CID18169121
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide
SMILESCCONC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-2-22-19-16(20)12-18-17(21)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,21)(H,19,20)
InChIKeySPKVDIBANHRYPN-UHFFFAOYSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid
CID 143394399
N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide
CID 18156676
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
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
N-butyl-4-phenylbenzamide
CID 3637649
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854675
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide (CID 18169121) is N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide is CCONC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is SPKVDIBANHRYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-22-19-16(20)12-18-17(21)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide?
N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 18169121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).