N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide

C17H24N2O4 — CID 141225863

IUPACN-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIInChI=1S/C17H24N2O4/c1-2-6-17(20)18-12-13-9-10-14(19(21)22)11-16(13)23-15-7-4-3-5-8-15/h9-11,15H,2-8,12H2,1H3,(H,18,20)
InChIKeyVUCKMNBSEWHNBU-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.72
Rot. Bonds7

About N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide

N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide (PubChem CID 141225863) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide
PubChem CID141225863
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIInChI=1S/C17H24N2O4/c1-2-6-17(20)18-12-13-9-10-14(19(21)22)11-16(13)23-15-7-4-3-5-8-15/h9-11,15H,2-8,12H2,1H3,(H,18,20)
InChIKeyVUCKMNBSEWHNBU-UHFFFAOYSA-N
XLogP3.72
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.72
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

2-cyclopropyloxy-1-ethyl-4-nitrobenzene
CID 59026367
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
2-cyclohexyloxy-N-(2-methylpropyl)-5-nitrobenzamide
CID 101094678
[2-(bromomethyl)-4-nitrophenoxy]cycloheptane
CID 82928848
N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide
CID 75378567
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119802521
N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide
CID 14771324
N-[4-cyclohexyloxy-5-(methanesulfonamido)-2-nitrophenyl]butanamide
CID 15233441
2-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide?
The IUPAC name of N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide (CID 141225863) is N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide.
What is the SMILES notation for N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide?
The canonical SMILES for N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide is CCCC(=O)NCc1ccc([N+](=O)[O-])cc1OC1CCCCC1.
What is the InChIKey of N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide?
The InChIKey is VUCKMNBSEWHNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-6-17(20)18-12-13-9-10-14(19(21)22)11-16(13)23-15-7-4-3-5-8-15/h9-11,15H,2-8,12H2,1H3,(H,18,20).
What are the key properties of N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide?
N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide has a molecular weight of 320.39 g/mol, XLogP of 3.72, 7 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)methyl]butanamide is sourced from PubChem (CID 141225863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).