N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide

C20H29N3O2 — CID 762046

IUPACN-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NN=C1CCCCCCC1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H29N3O2/c24-20(22-21-19-6-4-2-1-3-5-7-19)18-10-8-17(9-11-18)16-23-12-14-25-15-13-23/h8-11H,1-7,12-16H2,(H,22,24)
InChIKeyGWTQOVPVUWJTBM-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.35
Rot. Bonds4

About N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide

N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 762046) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID762046
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NN=C1CCCCCCC1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H29N3O2/c24-20(22-21-19-6-4-2-1-3-5-7-19)18-10-8-17(9-11-18)16-23-12-14-25-15-13-23/h8-11H,1-7,12-16H2,(H,22,24)
InChIKeyGWTQOVPVUWJTBM-UHFFFAOYSA-N
XLogP3.35
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.35
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

4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N'-(cycloocten-1-yl)-4-(morpholin-4-ylmethyl)benzohydrazide
CID 3659350
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide
CID 2854785
N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 4268320
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
CID 145127992
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
CID 59303659
CID 59303659

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide (CID 762046) is N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide is O=C(NN=C1CCCCCCC1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is GWTQOVPVUWJTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(22-21-19-6-4-2-1-3-5-7-19)18-10-8-17(9-11-18)16-23-12-14-25-15-13-23/h8-11H,1-7,12-16H2,(H,22,24).
What are the key properties of N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide?
N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 343.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 762046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).