N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide

C23H27N3O5 — CID 9205655

IUPACN-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C23H27N3O5/c1-16(31-21-15-9-8-14-20(21)26(29)30)22(27)24-19-13-7-6-12-18(19)23(28)25(2)17-10-4-3-5-11-17/h6-9,12-17H,3-5,10-11H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyJNGUNIFIERXJPQ-MRXNPFEDSA-N
MW425.49 g/mol
LogP4.41
Rot. Bonds7

About N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide

N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide (PubChem CID 9205655) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
PubChem CID9205655
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C23H27N3O5/c1-16(31-21-15-9-8-14-20(21)26(29)30)22(27)24-19-13-7-6-12-18(19)23(28)25(2)17-10-4-3-5-11-17/h6-9,12-17H,3-5,10-11H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyJNGUNIFIERXJPQ-MRXNPFEDSA-N
XLogP4.41
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.41
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,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205670
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 4958547
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343
N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 42579619
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide
CID 4939111
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide (CID 9205655) is N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide is C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The InChIKey is JNGUNIFIERXJPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-16(31-21-15-9-8-14-20(21)26(29)30)22(27)24-19-13-7-6-12-18(19)23(28)25(2)17-10-4-3-5-11-17/h6-9,12-17H,3-5,10-11H2,1-2H3,(H,24,27)/t16-/m1/s1.
What are the key properties of N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 9205655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).