N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide

C15H27N3O3 — CID 79755948

IUPACN-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide
SMILESCCC1CCC(NC(=O)C2CCOC2C)(C(N)=NO)CC1
InChIInChI=1S/C15H27N3O3/c1-3-11-4-7-15(8-5-11,14(16)18-20)17-13(19)12-6-9-21-10(12)2/h10-12,20H,3-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyWPWQBDQWUJLMNR-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.61
Rot. Bonds4

About N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide

N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide (PubChem CID 79755948) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide
PubChem CID79755948
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide
SMILESCCC1CCC(NC(=O)C2CCOC2C)(C(N)=NO)CC1
InChIInChI=1S/C15H27N3O3/c1-3-11-4-7-15(8-5-11,14(16)18-20)17-13(19)12-6-9-21-10(12)2/h10-12,20H,3-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyWPWQBDQWUJLMNR-UHFFFAOYSA-N
XLogP1.61
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyano-4-ethylcyclohexyl)-2-methyloxolane-3-carboxamide
CID 79759562
N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 103940438
1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79750991
N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
CID 115885935
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide
CID 79762996
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
3-bromo-N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]thiophene-2-carboxamide
CID 77007083
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988
2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
CID 79760323
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182737
4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 93298114

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide (CID 79755948) is N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide is CCC1CCC(NC(=O)C2CCOC2C)(C(N)=NO)CC1.
What is the InChIKey of N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide?
The InChIKey is WPWQBDQWUJLMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-11-4-7-15(8-5-11,14(16)18-20)17-13(19)12-6-9-21-10(12)2/h10-12,20H,3-9H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide?
N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79755948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).