N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide

C17H24N2O4 — CID 75361793

IUPACN-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide
SMILESCOC1CCC(N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C17H24N2O4/c1-18(14-7-9-16(23-2)10-8-14)17(20)11-6-13-4-3-5-15(12-13)19(21)22/h3-5,12,14,16H,6-11H2,1-2H3
InChIKeyCGAHXXPQULJPBT-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.94
Rot. Bonds6

About N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide

N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide (PubChem CID 75361793) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide
PubChem CID75361793
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide
SMILESCOC1CCC(N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C17H24N2O4/c1-18(14-7-9-16(23-2)10-8-14)17(20)11-6-13-4-3-5-15(12-13)19(21)22/h3-5,12,14,16H,6-11H2,1-2H3
InChIKeyCGAHXXPQULJPBT-UHFFFAOYSA-N
XLogP2.94
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
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

3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823365
(4R)-N-cyclopropyl-N-methyl-3-[2-(3-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 124607381
2-[2-methoxyethyl-[3-(3-nitrophenyl)propanoyl]amino]acetic acid
CID 119348154
2-[cyclopropyl-[2-(3-nitrophenyl)acetyl]amino]propanoic acid
CID 119202503
3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide
CID 75388561
1-[3-(3-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356438
[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825310
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride
CID 119572628
8-(3-nitrophenyl)octanoic acid
CID 57120738
benzyl 3-(3-nitrophenyl)propanoate
CID 155323351
N'-cyclopropyl-N'-methyl-N-[(3-nitrophenyl)methyl]ethane-1,2-diamine
CID 62976814
1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide
CID 119159266

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide?
The IUPAC name of N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide (CID 75361793) is N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide is COC1CCC(N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide?
The InChIKey is CGAHXXPQULJPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-18(14-7-9-16(23-2)10-8-14)17(20)11-6-13-4-3-5-15(12-13)19(21)22/h3-5,12,14,16H,6-11H2,1-2H3.
What are the key properties of N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide?
N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide has a molecular weight of 320.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-N-methyl-3-(3-nitrophenyl)propanamide is sourced from PubChem (CID 75361793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).