N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide

C16H22N2O3 — CID 27859420

IUPACN,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide
SMILESCc1cc(C(=O)N(C)C2CCC(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H22N2O3/c1-11-4-7-14(8-5-11)17(3)16(19)13-6-9-15(18(20)21)12(2)10-13/h6,9-11,14H,4-5,7-8H2,1-3H3
InChIKeyHUOQAKQFSSINGE-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.55
Rot. Bonds3

About N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide

N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide (PubChem CID 27859420) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide
PubChem CID27859420
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide
SMILESCc1cc(C(=O)N(C)C2CCC(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H22N2O3/c1-11-4-7-14(8-5-11)17(3)16(19)13-6-9-15(18(20)21)12(2)10-13/h6,9-11,14H,4-5,7-8H2,1-3H3
InChIKeyHUOQAKQFSSINGE-UHFFFAOYSA-N
XLogP3.55
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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CID 32919661
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N,4-dimethyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134047066
N-cyclobutyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 115649333
3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
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N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide
CID 47922463
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
3-hydrazinyl-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62682884
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269
N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 17396951
N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
CID 25482097
N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998500

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide?
The IUPAC name of N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide (CID 27859420) is N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide.
What is the SMILES notation for N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide?
The canonical SMILES for N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide is Cc1cc(C(=O)N(C)C2CCC(C)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide?
The InChIKey is HUOQAKQFSSINGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-4-7-14(8-5-11)17(3)16(19)13-6-9-15(18(20)21)12(2)10-13/h6,9-11,14H,4-5,7-8H2,1-3H3.
What are the key properties of N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide?
N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide has a molecular weight of 290.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide is sourced from PubChem (CID 27859420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).