2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide

C16H23N3O4 — CID 4879335

IUPAC2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H23N3O4/c1-18(12-6-4-3-5-7-12)11-16(20)17-14-9-8-13(23-2)10-15(14)19(21)22/h8-10,12H,3-7,11H2,1-2H3,(H,17,20)
InChIKeyBTKOMUIOSUYDMM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.81
Rot. Bonds6

About 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 4879335) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID4879335
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H23N3O4/c1-18(12-6-4-3-5-7-12)11-16(20)17-14-9-8-13(23-2)10-15(14)19(21)22/h8-10,12H,3-7,11H2,1-2H3,(H,17,20)
InChIKeyBTKOMUIOSUYDMM-UHFFFAOYSA-N
XLogP2.81
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.81
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

2-[cycloheptyl(methyl)amino]-N-(4-fluoro-2-nitrophenyl)acetamide
CID 16961109
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8770143
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729454
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8977885
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9054049
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8930758
2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46800759
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 11931197
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 4879335) is 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CN(C)C2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is BTKOMUIOSUYDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-18(12-6-4-3-5-7-12)11-16(20)17-14-9-8-13(23-2)10-15(14)19(21)22/h8-10,12H,3-7,11H2,1-2H3,(H,17,20).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 4879335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).