N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide

C16H22N2O4 — CID 110003767

IUPACN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
SMILESCN(CC1CCCCC1O)C(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H22N2O4/c1-17(11-13-6-2-3-8-15(13)19)16(20)10-12-5-4-7-14(9-12)18(21)22/h4-5,7,9,13,15,19H,2-3,6,8,10-11H2,1H3
InChIKeyNZVZGQBZRKCCJU-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.15
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide

N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide (PubChem CID 110003767) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
PubChem CID110003767
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
SMILESCN(CC1CCCCC1O)C(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H22N2O4/c1-17(11-13-6-2-3-8-15(13)19)16(20)10-12-5-4-7-14(9-12)18(21)22/h4-5,7,9,13,15,19H,2-3,6,8,10-11H2,1H3
InChIKeyNZVZGQBZRKCCJU-UHFFFAOYSA-N
XLogP2.15
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 110003368
3-[methyl-[2-(3-nitrophenyl)acetyl]amino]propanoic acid
CID 112700770
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(3-nitrophenyl)propyl]urea
CID 109398812
N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 122145985
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 115648822
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
2-[cyclopropyl-[2-(3-nitrophenyl)acetyl]amino]propanoic acid
CID 119202503
1-cyclopropyl-2-(3-nitrophenyl)ethanone
CID 147564014
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide
CID 109399831

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide (CID 110003767) is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide is CN(CC1CCCCC1O)C(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide?
The InChIKey is NZVZGQBZRKCCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-17(11-13-6-2-3-8-15(13)19)16(20)10-12-5-4-7-14(9-12)18(21)22/h4-5,7,9,13,15,19H,2-3,6,8,10-11H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide?
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide has a molecular weight of 306.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 110003767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).