N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide

C18H19N3O5 — CID 42908904

IUPACN-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c22-16(13-6-8-15(9-7-13)21(25)26)12-20-17(23)10-11-19-18(24)14-4-2-1-3-5-14/h1-9,16,22H,10-12H2,(H,19,24)(H,20,23)
InChIKeyAAAJAXWGGSBUFH-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.56
Rot. Bonds8

About N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide

N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide (PubChem CID 42908904) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
PubChem CID42908904
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c22-16(13-6-8-15(9-7-13)21(25)26)12-20-17(23)10-11-19-18(24)14-4-2-1-3-5-14/h1-9,16,22H,10-12H2,(H,19,24)(H,20,23)
InChIKeyAAAJAXWGGSBUFH-UHFFFAOYSA-N
XLogP1.56
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitro-N-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]benzamide
CID 9301414
4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 18159360
4-nitro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 9482968
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
2-[3-[(4-nitrobenzoyl)amino]propanoylamino]acetic acid
CID 119171145
4-methyl-2-[[3-[(4-nitrobenzoyl)amino]propanoylamino]methyl]pentanoic acid
CID 119252668
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 18127068
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 40952744
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide
CID 40952776
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 41176072
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 8961150

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide (CID 42908904) is N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NCC(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is AAAJAXWGGSBUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-16(13-6-8-15(9-7-13)21(25)26)12-20-17(23)10-11-19-18(24)14-4-2-1-3-5-14/h1-9,16,22H,10-12H2,(H,19,24)(H,20,23).
What are the key properties of N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide?
N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 357.37 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 42908904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).