N-(cyclododecylideneamino)-3-methylbenzamide

C20H30N2O — CID 4110960

IUPACN-(cyclododecylideneamino)-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=C2CCCCCCCCCCC2)c1
InChIInChI=1S/C20H30N2O/c1-17-12-11-13-18(16-17)20(23)22-21-19-14-9-7-5-3-2-4-6-8-10-15-19/h11-13,16H,2-10,14-15H2,1H3,(H,22,23)
InChIKeyGVGAABAMVZXDAO-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.39
Rot. Bonds2

About N-(cyclododecylideneamino)-3-methylbenzamide

N-(cyclododecylideneamino)-3-methylbenzamide (PubChem CID 4110960) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-(cyclododecylideneamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)-3-methylbenzamide
PubChem CID4110960
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-(cyclododecylideneamino)-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=C2CCCCCCCCCCC2)c1
InChIInChI=1S/C20H30N2O/c1-17-12-11-13-18(16-17)20(23)22-21-19-14-9-7-5-3-2-4-6-8-10-15-19/h11-13,16H,2-10,14-15H2,1H3,(H,22,23)
InChIKeyGVGAABAMVZXDAO-UHFFFAOYSA-N
XLogP5.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cycloheptylideneamino)-3-methoxybenzamide
CID 3610862
N-(cyclododecylideneamino)benzamide
CID 4147051
N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide
CID 5398187
N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88862126
N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123547157
3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 1240483
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N-(cycloheptylideneamino)-3-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 4866547
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea
CID 3652809

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)-3-methylbenzamide?
The IUPAC name of N-(cyclododecylideneamino)-3-methylbenzamide (CID 4110960) is N-(cyclododecylideneamino)-3-methylbenzamide.
What is the SMILES notation for N-(cyclododecylideneamino)-3-methylbenzamide?
The canonical SMILES for N-(cyclododecylideneamino)-3-methylbenzamide is Cc1cccc(C(=O)NN=C2CCCCCCCCCCC2)c1.
What is the InChIKey of N-(cyclododecylideneamino)-3-methylbenzamide?
The InChIKey is GVGAABAMVZXDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-17-12-11-13-18(16-17)20(23)22-21-19-14-9-7-5-3-2-4-6-8-10-15-19/h11-13,16H,2-10,14-15H2,1H3,(H,22,23).
What are the key properties of N-(cyclododecylideneamino)-3-methylbenzamide?
N-(cyclododecylideneamino)-3-methylbenzamide has a molecular weight of 314.47 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)-3-methylbenzamide is sourced from PubChem (CID 4110960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).