3-(cyclobutylcarbamoylamino)-N-methylpropanamide

C9H17N3O2 — CID 115617988

IUPAC3-(cyclobutylcarbamoylamino)-N-methylpropanamide
SMILESCNC(=O)CCNC(=O)NC1CCC1
InChIInChI=1S/C9H17N3O2/c1-10-8(13)5-6-11-9(14)12-7-3-2-4-7/h7H,2-6H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyLCKMLKTYRSBPJS-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.03
Rot. Bonds4

About 3-(cyclobutylcarbamoylamino)-N-methylpropanamide

3-(cyclobutylcarbamoylamino)-N-methylpropanamide (PubChem CID 115617988) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(cyclobutylcarbamoylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(cyclobutylcarbamoylamino)-N-methylpropanamide
PubChem CID115617988
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(cyclobutylcarbamoylamino)-N-methylpropanamide
SMILESCNC(=O)CCNC(=O)NC1CCC1
InChIInChI=1S/C9H17N3O2/c1-10-8(13)5-6-11-9(14)12-7-3-2-4-7/h7H,2-6H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyLCKMLKTYRSBPJS-UHFFFAOYSA-N
XLogP-0.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-propylurea
CID 14343339
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
1-cyclobutyl-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 116658500
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
2-(cyclobutylcarbamoylamino)-N-ethylacetamide
CID 115617813
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843
1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea
CID 84523572
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-[2-(cyclobutylamino)ethyl]-3-methylurea
CID 123788370

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylcarbamoylamino)-N-methylpropanamide?
The IUPAC name of 3-(cyclobutylcarbamoylamino)-N-methylpropanamide (CID 115617988) is 3-(cyclobutylcarbamoylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(cyclobutylcarbamoylamino)-N-methylpropanamide?
The canonical SMILES for 3-(cyclobutylcarbamoylamino)-N-methylpropanamide is CNC(=O)CCNC(=O)NC1CCC1.
What is the InChIKey of 3-(cyclobutylcarbamoylamino)-N-methylpropanamide?
The InChIKey is LCKMLKTYRSBPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-10-8(13)5-6-11-9(14)12-7-3-2-4-7/h7H,2-6H2,1H3,(H,10,13)(H2,11,12,14).
What are the key properties of 3-(cyclobutylcarbamoylamino)-N-methylpropanamide?
3-(cyclobutylcarbamoylamino)-N-methylpropanamide has a molecular weight of 199.25 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylcarbamoylamino)-N-methylpropanamide is sourced from PubChem (CID 115617988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).