2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide

C19H27N3O4 — CID 43005191

IUPAC2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
SMILESCc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H27N3O4/c1-15-16(6-5-7-17(15)22(24)25)18(23)20-14-19(8-3-2-4-9-19)21-10-12-26-13-11-21/h5-7H,2-4,8-14H2,1H3,(H,20,23)
InChIKeyAKMLPAIMLARAJO-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.67
Rot. Bonds5

About 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide

2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide (PubChem CID 43005191) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
PubChem CID43005191
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
SMILESCc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H27N3O4/c1-15-16(6-5-7-17(15)22(24)25)18(23)20-14-19(8-3-2-4-9-19)21-10-12-26-13-11-21/h5-7H,2-4,8-14H2,1H3,(H,20,23)
InChIKeyAKMLPAIMLARAJO-UHFFFAOYSA-N
XLogP2.67
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide
CID 18150649
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
CID 115362547
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 39752666
1-[[(2-methyl-3-nitrobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369460
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[(2-nitrophenyl)methyl]guanidine
CID 111003831
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
CID 43067806
2-(4-fluorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 39430130
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide?
The IUPAC name of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide (CID 43005191) is 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide?
The canonical SMILES for 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide is Cc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide?
The InChIKey is AKMLPAIMLARAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-15-16(6-5-7-17(15)22(24)25)18(23)20-14-19(8-3-2-4-9-19)21-10-12-26-13-11-21/h5-7H,2-4,8-14H2,1H3,(H,20,23).
What are the key properties of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide?
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide has a molecular weight of 361.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 43005191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).