N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide

C22H26N2O5 — CID 141225866

IUPACN-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC2CCCCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-15(2)28-19-11-8-16(9-12-19)22(25)23-20-13-10-17(24(26)27)14-21(20)29-18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,23,25)
InChIKeyKCVDRSZYCJZENY-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.35
Rot. Bonds7

About N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide

N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide (PubChem CID 141225866) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide
PubChem CID141225866
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC2CCCCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-15(2)28-19-11-8-16(9-12-19)22(25)23-20-13-10-17(24(26)27)14-21(20)29-18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,23,25)
InChIKeyKCVDRSZYCJZENY-UHFFFAOYSA-N
XLogP5.35
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.35
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

N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide
CID 141225851
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 17220867
N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide
CID 14771324
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
N-(4-nitro-2-propan-2-yloxyphenyl)acetamide
CID 86012496
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
N-[(2-methyl-4-nitrophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 2898707
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 19170787
(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7763855
2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide
CID 101094678

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide (CID 141225866) is N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide?
The InChIKey is KCVDRSZYCJZENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-15(2)28-19-11-8-16(9-12-19)22(25)23-20-13-10-17(24(26)27)14-21(20)29-18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,23,25).
What are the key properties of N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide?
N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide has a molecular weight of 398.46 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 141225866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).