3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide

C13H23N3O2 — CID 60591653

IUPAC3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)NCC1CC=CCC1
InChIInChI=1S/C13H23N3O2/c1-16(2)12(17)8-9-14-13(18)15-10-11-6-4-3-5-7-11/h3-4,11H,5-10H2,1-2H3,(H2,14,15,18)
InChIKeyJFXUQYZARAJJHL-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.12
Rot. Bonds5

About 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide

3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide (PubChem CID 60591653) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide
PubChem CID60591653
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)NCC1CC=CCC1
InChIInChI=1S/C13H23N3O2/c1-16(2)12(17)8-9-14-13(18)15-10-11-6-4-3-5-7-11/h3-4,11H,5-10H2,1-2H3,(H2,14,15,18)
InChIKeyJFXUQYZARAJJHL-UHFFFAOYSA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide
CID 97240049
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71915662
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea
CID 75441330
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65263860
3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea
CID 99823111
4-(cyclohex-3-en-1-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76929527
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
(1S,6R)-6-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93356353

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide (CID 60591653) is 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)NCC1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide?
The InChIKey is JFXUQYZARAJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-16(2)12(17)8-9-14-13(18)15-10-11-6-4-3-5-7-11/h3-4,11H,5-10H2,1-2H3,(H2,14,15,18).
What are the key properties of 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide?
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 60591653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).