N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide

C12H19N3O2 — CID 129445430

IUPACN-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide
SMILESCC[C@H]1CCC(=NNC(=O)C(=O)NC2CC2)C1
InChIInChI=1S/C12H19N3O2/c1-2-8-3-4-10(7-8)14-15-12(17)11(16)13-9-5-6-9/h8-9H,2-7H2,1H3,(H,13,16)(H,15,17)/t8-/m0/s1
InChIKeyLNNXUYLNJJTXPN-QMMMGPOBSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds3

About N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide

N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide (PubChem CID 129445430) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide
PubChem CID129445430
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide
SMILESCC[C@H]1CCC(=NNC(=O)C(=O)NC2CC2)C1
InChIInChI=1S/C12H19N3O2/c1-2-8-3-4-10(7-8)14-15-12(17)11(16)13-9-5-6-9/h8-9H,2-7H2,1H3,(H,13,16)(H,15,17)/t8-/m0/s1
InChIKeyLNNXUYLNJJTXPN-QMMMGPOBSA-N
XLogP0.95
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(2-cycloheptylidenehydrazino)-N-isobutyl-2-oxoacetamide
CID 8144119
N'-[(4-methylcyclohexylidene)amino]-N-propan-2-yloxamide
CID 9351428
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
CID 9351582
N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
CID 9351584
N-cyclopropyl-N'-[(E)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]oxamide
CID 9352111
N-cyclopropyl-N'-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]oxamide
CID 9352113
N-cyclopropyl-N'-[(4-methylcyclohexylidene)amino]oxamide
CID 9352142
N'-(cyclododecylideneamino)-N-cyclopropyloxamide
CID 9352147
N'-(cycloheptylideneamino)-N-cyclopropyloxamide
CID 9352150
N'-(cyclopentylideneamino)-N-cyclopropyloxamide
CID 9352154
N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide
CID 9352285
N-cyclopropyl-N'-[[(2R)-2-methylcyclohexylidene]amino]oxamide
CID 9352338

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide (CID 129445430) is N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide is CC[C@H]1CCC(=NNC(=O)C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide?
The InChIKey is LNNXUYLNJJTXPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-8-3-4-10(7-8)14-15-12(17)11(16)13-9-5-6-9/h8-9H,2-7H2,1H3,(H,13,16)(H,15,17)/t8-/m0/s1.
What are the key properties of N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide?
N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide has a molecular weight of 237.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[[(3S)-3-ethylcyclopentylidene]amino]oxamide is sourced from PubChem (CID 129445430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).