3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide

C18H27N3O4 — CID 30470681

IUPAC3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide
SMILESCc1cc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H27N3O4/c1-13(2)10-16(20-6-8-25-9-7-20)12-19-18(22)15-4-5-17(21(23)24)14(3)11-15/h4-5,11,13,16H,6-10,12H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyJVIJDHOIKMTMMW-MRXNPFEDSA-N
MW349.43 g/mol
LogP2.38
Rot. Bonds7

About 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide

3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide (PubChem CID 30470681) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide
PubChem CID30470681
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide
SMILESCc1cc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H27N3O4/c1-13(2)10-16(20-6-8-25-9-7-20)12-19-18(22)15-4-5-17(21(23)24)14(3)11-15/h4-5,11,13,16H,6-10,12H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyJVIJDHOIKMTMMW-MRXNPFEDSA-N
XLogP2.38
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.38
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

6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
N-[(2S)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 83030965
2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide
CID 46540916
4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
CID 25331278
1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 55695385
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43044296
3-methyl-N-[2-(methylamino)propyl]-4-nitrobenzamide
CID 120832355
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methyl-3-nitrobenzamide
CID 7496900
N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 30751721
1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 43050213

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide?
The IUPAC name of 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide (CID 30470681) is 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide.
What is the SMILES notation for 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide?
The canonical SMILES for 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide is Cc1cc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide?
The InChIKey is JVIJDHOIKMTMMW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13(2)10-16(20-6-8-25-9-7-20)12-19-18(22)15-4-5-17(21(23)24)14(3)11-15/h4-5,11,13,16H,6-10,12H2,1-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide?
3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide has a molecular weight of 349.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide is sourced from PubChem (CID 30470681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).