2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide

C13H25N3O3 — CID 106938268

IUPAC2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)OCC1(N)CCCCC1
InChIInChI=1S/C13H25N3O3/c1-3-15-12(18)16-11(17)10(2)19-9-13(14)7-5-4-6-8-13/h10H,3-9,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyAYLMJAPWQGLVCJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.90
Rot. Bonds5

About 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide

2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide (PubChem CID 106938268) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide
PubChem CID106938268
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)OCC1(N)CCCCC1
InChIInChI=1S/C13H25N3O3/c1-3-15-12(18)16-11(17)10(2)19-9-13(14)7-5-4-6-8-13/h10H,3-9,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyAYLMJAPWQGLVCJ-UHFFFAOYSA-N
XLogP0.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
CID 64551906
2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
CID 64551486
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylpropyl)propanamide
CID 64551905
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
CID 64549565
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742
2-[(1-aminocycloheptyl)methoxy]-N-cyclopentylpropanamide
CID 64549979
2-[(1-aminocyclopentyl)methoxy]-N-phenylpropanamide
CID 64574375
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate
CID 106940160
1-(pentan-2-yloxymethyl)cyclohexan-1-amine
CID 107891879
2-[(1-aminocyclohexyl)methoxy]butanoic acid
CID 106940020

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide (CID 106938268) is 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)OCC1(N)CCCCC1.
What is the InChIKey of 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide?
The InChIKey is AYLMJAPWQGLVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-15-12(18)16-11(17)10(2)19-9-13(14)7-5-4-6-8-13/h10H,3-9,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide?
2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 106938268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).