3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide

C15H29N3O3 — CID 56814193

IUPAC3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)NCCCOC1CCCCC1)C(N)=O
InChIInChI=1S/C15H29N3O3/c1-15(2,13(16)19)11-18-14(20)17-9-6-10-21-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3,(H2,16,19)(H2,17,18,20)
InChIKeyUFSKYGUKWPJAHW-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.54
Rot. Bonds8

About 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide

3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide (PubChem CID 56814193) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide
PubChem CID56814193
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)NCCCOC1CCCCC1)C(N)=O
InChIInChI=1S/C15H29N3O3/c1-15(2,13(16)19)11-18-14(20)17-9-6-10-21-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3,(H2,16,19)(H2,17,18,20)
InChIKeyUFSKYGUKWPJAHW-UHFFFAOYSA-N
XLogP1.54
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate
CID 55794353
2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
CID 95573643
4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002250
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
6-amino-N-(3-cyclohexyloxypropyl)-4,4-dimethylhexanamide
CID 65292212
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea
CID 63870429
1-amino-N-(3-cyclopentyloxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119309030
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111428431
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide (CID 56814193) is 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide is CC(C)(CNC(=O)NCCCOC1CCCCC1)C(N)=O.
What is the InChIKey of 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide?
The InChIKey is UFSKYGUKWPJAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,13(16)19)11-18-14(20)17-9-6-10-21-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3,(H2,16,19)(H2,17,18,20).
What are the key properties of 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide?
3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide has a molecular weight of 299.41 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide is sourced from PubChem (CID 56814193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).