N,N'-bis[(4-propylcyclohexylidene)amino]oxamide

C20H34N4O2 — CID 3378512

IUPACN,N'-bis[(4-propylcyclohexylidene)amino]oxamide
SMILESCCCC1CCC(=NNC(=O)C(=O)NN=C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H34N4O2/c1-3-5-15-7-11-17(12-8-15)21-23-19(25)20(26)24-22-18-13-9-16(6-4-2)10-14-18/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,26)/b21-17-,22-18-
InChIKeyMTJIIZLQBRHHFK-SVJWQLCWSA-N
MW362.52 g/mol
LogP3.91
Rot. Bonds6

About N,N'-bis[(4-propylcyclohexylidene)amino]oxamide

N,N'-bis[(4-propylcyclohexylidene)amino]oxamide (PubChem CID 3378512) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N,N'-bis[(4-propylcyclohexylidene)amino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(4-propylcyclohexylidene)amino]oxamide
PubChem CID3378512
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN,N'-bis[(4-propylcyclohexylidene)amino]oxamide
SMILESCCCC1CCC(=NNC(=O)C(=O)NN=C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H34N4O2/c1-3-5-15-7-11-17(12-8-15)21-23-19(25)20(26)24-22-18-13-9-16(6-4-2)10-14-18/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,26)/b21-17-,22-18-
InChIKeyMTJIIZLQBRHHFK-SVJWQLCWSA-N
XLogP3.91
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-propylcyclohexylidene)amino]undecanamide
CID 4226269
[(4-butylcyclohexylidene)amino]urea
CID 165349079
4-ethoxy-N-[(4-propylcyclohexylidene)amino]benzamide
CID 4109635
3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
CID 5115371
N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide
CID 129445430
N-[(4-propylcyclohexylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556237
2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 4143274
2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 3378905
N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
CID 3680636
4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 5062315
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-propylcyclohexylidene)amino]oxamide?
The IUPAC name of N,N'-bis[(4-propylcyclohexylidene)amino]oxamide (CID 3378512) is N,N'-bis[(4-propylcyclohexylidene)amino]oxamide.
What is the SMILES notation for N,N'-bis[(4-propylcyclohexylidene)amino]oxamide?
The canonical SMILES for N,N'-bis[(4-propylcyclohexylidene)amino]oxamide is CCCC1CCC(=NNC(=O)C(=O)NN=C2CCC(CCC)CC2)CC1.
What is the InChIKey of N,N'-bis[(4-propylcyclohexylidene)amino]oxamide?
The InChIKey is MTJIIZLQBRHHFK-SVJWQLCWSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-5-15-7-11-17(12-8-15)21-23-19(25)20(26)24-22-18-13-9-16(6-4-2)10-14-18/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,26)/b21-17-,22-18-.
What are the key properties of N,N'-bis[(4-propylcyclohexylidene)amino]oxamide?
N,N'-bis[(4-propylcyclohexylidene)amino]oxamide has a molecular weight of 362.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-propylcyclohexylidene)amino]oxamide is sourced from PubChem (CID 3378512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).