N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide

C18H21N3O3 — CID 78066485

IUPACN-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide
SMILESCC(NOCc1ccccc1)C(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-14(21-24-13-15-8-4-2-5-9-15)18(23)19-12-17(22)20-16-10-6-3-7-11-16/h2-11,14,21H,12-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyYQGBMUDUCOODKJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.85
Rot. Bonds8

About N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide

N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide (PubChem CID 78066485) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide
PubChem CID78066485
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide
SMILESCC(NOCc1ccccc1)C(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-14(21-24-13-15-8-4-2-5-9-15)18(23)19-12-17(22)20-16-10-6-3-7-11-16/h2-11,14,21H,12-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyYQGBMUDUCOODKJ-UHFFFAOYSA-N
XLogP1.85
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-(phenylmethoxyamino)propanamide
CID 60682905
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxyamino)propanoyl]amino]propanoic acid
CID 142703988
benzyl N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 26005830
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
4-amino-4-oxo-2-[[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]butanoic acid
CID 166977544
benzyl 2-[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetate
CID 131720212
N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110313069
(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanamide
CID 70068560

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide (CID 78066485) is N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide is CC(NOCc1ccccc1)C(=O)NCC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide?
The InChIKey is YQGBMUDUCOODKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14(21-24-13-15-8-4-2-5-9-15)18(23)19-12-17(22)20-16-10-6-3-7-11-16/h2-11,14,21H,12-13H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide?
N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide has a molecular weight of 327.38 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide is sourced from PubChem (CID 78066485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).