2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide

C15H30N4O — CID 119158353

IUPAC2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
SMILESCCC1CCC(N/C(=N/C)NCC(=O)NC(C)C)CC1
InChIInChI=1S/C15H30N4O/c1-5-12-6-8-13(9-7-12)19-15(16-4)17-10-14(20)18-11(2)3/h11-13H,5-10H2,1-4H3,(H,18,20)(H2,16,17,19)
InChIKeyNCHNMEAWTRWRHJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.64
Rot. Bonds5

About 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide

2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide (PubChem CID 119158353) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
PubChem CID119158353
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
SMILESCCC1CCC(N/C(=N/C)NCC(=O)NC(C)C)CC1
InChIInChI=1S/C15H30N4O/c1-5-12-6-8-13(9-7-12)19-15(16-4)17-10-14(20)18-11(2)3/h11-13H,5-10H2,1-4H3,(H,18,20)(H2,16,17,19)
InChIKeyNCHNMEAWTRWRHJ-UHFFFAOYSA-N
XLogP1.64
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158319
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158441
3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 110992517
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119150643
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-(2,2-difluoroethyl)acetamide
CID 120663324
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide
CID 119116667
2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158907
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide
CID 110934385
2-[[N-[1-(2-bromophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119150786
N-cyclopropyl-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide
CID 111125811
N-cyclohexyl-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
CID 111195692

Frequently Asked Questions

What is the IUPAC name of 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide (CID 119158353) is 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide is CCC1CCC(N/C(=N/C)NCC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
The InChIKey is NCHNMEAWTRWRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-5-12-6-8-13(9-7-12)19-15(16-4)17-10-14(20)18-11(2)3/h11-13H,5-10H2,1-4H3,(H,18,20)(H2,16,17,19).
What are the key properties of 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide has a molecular weight of 282.43 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 119158353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).