N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide

C14H27N3O3 — CID 103940438

IUPACN-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide
SMILESCCC1CCC(NC(=O)COC(C)C)(C(N)=NO)CC1
InChIInChI=1S/C14H27N3O3/c1-4-11-5-7-14(8-6-11,13(15)17-19)16-12(18)9-20-10(2)3/h10-11,19H,4-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyPGOLXOVTHWBYRO-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.61
Rot. Bonds6

About N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide

N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide (PubChem CID 103940438) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide
PubChem CID103940438
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide
SMILESCCC1CCC(NC(=O)COC(C)C)(C(N)=NO)CC1
InChIInChI=1S/C14H27N3O3/c1-4-11-5-7-14(8-6-11,13(15)17-19)16-12(18)9-20-10(2)3/h10-11,19H,4-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyPGOLXOVTHWBYRO-UHFFFAOYSA-N
XLogP1.61
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
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-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide
CID 79755948
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988
3-bromo-N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]thiophene-2-carboxamide
CID 77007083
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide
CID 104982293
4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
CID 76912725
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940428
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
CID 76946958
2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide
CID 103166098
4-ethyl-1-[(2-propan-2-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 43172614

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide (CID 103940438) is N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide is CCC1CCC(NC(=O)COC(C)C)(C(N)=NO)CC1.
What is the InChIKey of N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide?
The InChIKey is PGOLXOVTHWBYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-11-5-7-14(8-6-11,13(15)17-19)16-12(18)9-20-10(2)3/h10-11,19H,4-9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide?
N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide has a molecular weight of 285.39 g/mol, XLogP of 1.61, 6 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-propan-2-yloxyacetamide is sourced from PubChem (CID 103940438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).