N'-(4-aminobenzoyl)-N-cyclododecyloxamide

C21H31N3O3 — CID 108517437

IUPACN'-(4-aminobenzoyl)-N-cyclododecyloxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C21H31N3O3/c22-17-14-12-16(13-15-17)19(25)24-21(27)20(26)23-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18H,1-11,22H2,(H,23,26)(H,24,25,27)
InChIKeyZZFLNVYZJYNOMX-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.31
Rot. Bonds2

About N'-(4-aminobenzoyl)-N-cyclododecyloxamide

N'-(4-aminobenzoyl)-N-cyclododecyloxamide (PubChem CID 108517437) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N'-(4-aminobenzoyl)-N-cyclododecyloxamide.

Molecular Properties

Compound NameN'-(4-aminobenzoyl)-N-cyclododecyloxamide
PubChem CID108517437
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN'-(4-aminobenzoyl)-N-cyclododecyloxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C21H31N3O3/c22-17-14-12-16(13-15-17)19(25)24-21(27)20(26)23-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18H,1-11,22H2,(H,23,26)(H,24,25,27)
InChIKeyZZFLNVYZJYNOMX-UHFFFAOYSA-N
XLogP3.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(cyclopentylcarbamoyl)benzamide
CID 108902754
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
3-(4-aminophenyl)-N-cyclododecyl-2-phenylprop-2-enamide
CID 54402620
4-amino-N-(4-piperidin-1-ylcyclohexyl)benzamide
CID 143211763
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
N-cyclooctyl-4-methylbenzamide
CID 3995245
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
methyl 4-(cyclopentylcarbamothioylcarbamoyl)benzoate
CID 17178596
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobenzoyl)-N-cyclododecyloxamide?
The IUPAC name of N'-(4-aminobenzoyl)-N-cyclododecyloxamide (CID 108517437) is N'-(4-aminobenzoyl)-N-cyclododecyloxamide.
What is the SMILES notation for N'-(4-aminobenzoyl)-N-cyclododecyloxamide?
The canonical SMILES for N'-(4-aminobenzoyl)-N-cyclododecyloxamide is Nc1ccc(C(=O)NC(=O)C(=O)NC2CCCCCCCCCCC2)cc1.
What is the InChIKey of N'-(4-aminobenzoyl)-N-cyclododecyloxamide?
The InChIKey is ZZFLNVYZJYNOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c22-17-14-12-16(13-15-17)19(25)24-21(27)20(26)23-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18H,1-11,22H2,(H,23,26)(H,24,25,27).
What are the key properties of N'-(4-aminobenzoyl)-N-cyclododecyloxamide?
N'-(4-aminobenzoyl)-N-cyclododecyloxamide has a molecular weight of 373.50 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobenzoyl)-N-cyclododecyloxamide is sourced from PubChem (CID 108517437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).