N-(2-cyclohexyloxy-4-nitrophenyl)acetamide

C14H18N2O4 — CID 46830015

IUPACN-(2-cyclohexyloxy-4-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIInChI=1S/C14H18N2O4/c1-10(17)15-13-8-7-11(16(18)19)9-14(13)20-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,15,17)
InChIKeyWOJROBXSSNUMFX-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.26
Rot. Bonds4

About N-(2-cyclohexyloxy-4-nitrophenyl)acetamide

N-(2-cyclohexyloxy-4-nitrophenyl)acetamide (PubChem CID 46830015) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-cyclohexyloxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxy-4-nitrophenyl)acetamide
PubChem CID46830015
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-cyclohexyloxy-4-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIInChI=1S/C14H18N2O4/c1-10(17)15-13-8-7-11(16(18)19)9-14(13)20-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,15,17)
InChIKeyWOJROBXSSNUMFX-UHFFFAOYSA-N
XLogP3.26
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.26
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-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide
CID 14771324
N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide
CID 141225851
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 141225866
N-(4-nitro-2-propan-2-yloxyphenyl)acetamide
CID 86012496
N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide
CID 141225863
N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide;N-(2-cyclohexyloxy-4-nitrophenyl)-N-methylmethanesulfonamide
CID 158974603
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37231406
3-cyclohexyl-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]propanamide
CID 54781777
2-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)acetamide?
The IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)acetamide (CID 46830015) is N-(2-cyclohexyloxy-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-cyclohexyloxy-4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-cyclohexyloxy-4-nitrophenyl)acetamide is CC(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxy-4-nitrophenyl)acetamide?
The InChIKey is WOJROBXSSNUMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(17)15-13-8-7-11(16(18)19)9-14(13)20-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(2-cyclohexyloxy-4-nitrophenyl)acetamide?
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 46830015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).