3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide

C20H30N2O4 — CID 7858460

IUPAC3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
SMILESCCOc1cc(C(=O)N/N=C2/CCC[C@H](C)C2)cc(OCC)c1OCC
InChIInChI=1S/C20H30N2O4/c1-5-24-17-12-15(13-18(25-6-2)19(17)26-7-3)20(23)22-21-16-10-8-9-14(4)11-16/h12-14H,5-11H2,1-4H3,(H,22,23)/b21-16-/t14-/m0/s1
InChIKeyBAKATWNQYLTZDG-FJGOLAJPSA-N
MW362.47 g/mol
LogP4.18
Rot. Bonds8

About 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide

3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide (PubChem CID 7858460) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
PubChem CID7858460
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
SMILESCCOc1cc(C(=O)N/N=C2/CCC[C@H](C)C2)cc(OCC)c1OCC
InChIInChI=1S/C20H30N2O4/c1-5-24-17-12-15(13-18(25-6-2)19(17)26-7-3)20(23)22-21-16-10-8-9-14(4)11-16/h12-14H,5-11H2,1-4H3,(H,22,23)/b21-16-/t14-/m0/s1
InChIKeyBAKATWNQYLTZDG-FJGOLAJPSA-N
XLogP4.18
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3,4,5-triethoxy-N-[(4-methylcyclohexylidene)amino]benzamide
CID 5102951
N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
CID 4925778
ethyl N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]carbamate
CID 7115126
3-iodo-4-methoxy-N-[[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 129460274
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3,4,5-triethoxybenzamide
CID 6168805
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
CID 7435064
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582
5-chloro-2-methoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 27485279
5-chloro-2-methoxy-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27485277

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide (CID 7858460) is 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide is CCOc1cc(C(=O)N/N=C2/CCC[C@H](C)C2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The InChIKey is BAKATWNQYLTZDG-FJGOLAJPSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-5-24-17-12-15(13-18(25-6-2)19(17)26-7-3)20(23)22-21-16-10-8-9-14(4)11-16/h12-14H,5-11H2,1-4H3,(H,22,23)/b21-16-/t14-/m0/s1.
What are the key properties of 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide has a molecular weight of 362.47 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 7858460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).