4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide

C17H24N4O5 — CID 31657724

IUPAC4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide
SMILESNC(=O)c1ccc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H24N4O5/c18-17(22)12-1-2-14(15(9-12)21(23)24)19-10-16(13-3-6-26-11-13)20-4-7-25-8-5-20/h1-2,9,13,16,19H,3-8,10-11H2,(H2,18,22)/t13-,16+/m0/s1
InChIKeyYVYJQZQWHONVGJ-XJKSGUPXSA-N
MW364.40 g/mol
LogP0.84
Rot. Bonds7

About 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide

4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide (PubChem CID 31657724) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide
PubChem CID31657724
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide
SMILESNC(=O)c1ccc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H24N4O5/c18-17(22)12-1-2-14(15(9-12)21(23)24)19-10-16(13-3-6-26-11-13)20-4-7-25-8-5-20/h1-2,9,13,16,19H,3-8,10-11H2,(H2,18,22)/t13-,16+/m0/s1
InChIKeyYVYJQZQWHONVGJ-XJKSGUPXSA-N
XLogP0.84
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide 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

2-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-5-nitrobenzoic acid
CID 42943745
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017
3-nitro-4-(2-pyrrolidin-1-ylpropylamino)benzamide
CID 112726814
3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine
CID 94824919
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
3-nitro-4-(oxan-3-ylamino)benzamide
CID 55189150
4-[(3-methyl-2-propan-2-ylbutyl)amino]-3-nitrobenzamide
CID 102914040
3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitroimidazol-4-amine
CID 42943744
4-(2-aminoethylamino)-3-nitrobenzamide;hydrochloride
CID 155577579
4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzamide
CID 43386342
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-nitrobenzamide
CID 43400441
4-[[(2S,3S)-4-(4-carbamoyl-2-nitroanilino)-2,3-diethoxybutyl]amino]-3-nitrobenzamide
CID 138523794

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide?
The IUPAC name of 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide (CID 31657724) is 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide.
What is the SMILES notation for 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide?
The canonical SMILES for 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide is NC(=O)c1ccc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide?
The InChIKey is YVYJQZQWHONVGJ-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H24N4O5/c18-17(22)12-1-2-14(15(9-12)21(23)24)19-10-16(13-3-6-26-11-13)20-4-7-25-8-5-20/h1-2,9,13,16,19H,3-8,10-11H2,(H2,18,22)/t13-,16+/m0/s1.
What are the key properties of 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide?
4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide has a molecular weight of 364.40 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]amino]-3-nitrobenzamide is sourced from PubChem (CID 31657724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).