N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide

C17H24N2O3 — CID 18229626

IUPACN-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NN=C2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C17H24N2O3/c1-12(2)22-15-10-9-13(11-16(15)21-3)17(20)19-18-14-7-5-4-6-8-14/h9-12H,4-8H2,1-3H3,(H,19,20)
InChIKeyVRCPTQZSSWMABU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.53
Rot. Bonds5

About N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide

N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 18229626) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID18229626
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NN=C2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C17H24N2O3/c1-12(2)22-15-10-9-13(11-16(15)21-3)17(20)19-18-14-7-5-4-6-8-14/h9-12H,4-8H2,1-3H3,(H,19,20)
InChIKeyVRCPTQZSSWMABU-UHFFFAOYSA-N
XLogP3.53
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 7966581
N-(cycloheptylideneamino)-3-methoxybenzamide
CID 3610862
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methylpyrazine-2-carbohydrazide
CID 18266699
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804715
3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide
CID 51181691

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide (CID 18229626) is N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)NN=C2CCCCC2)ccc1OC(C)C.
What is the InChIKey of N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is VRCPTQZSSWMABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)22-15-10-9-13(11-16(15)21-3)17(20)19-18-14-7-5-4-6-8-14/h9-12H,4-8H2,1-3H3,(H,19,20).
What are the key properties of N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide?
N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 304.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 18229626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).