2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide

C13H25N3O2 — CID 40706145

IUPAC2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)C1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-3-9-14-13(18)15-12(17)10-16(2)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H2,14,15,17,18)
InChIKeyDWZOSCTZQQHFMM-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.49
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide

2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide (PubChem CID 40706145) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
PubChem CID40706145
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)C1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-3-9-14-13(18)15-12(17)10-16(2)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H2,14,15,17,18)
InChIKeyDWZOSCTZQQHFMM-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclohexyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 46800805
2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 16577824
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-[cycloheptyl(methyl)amino]acetohydrazide
CID 63574269
N-(ethylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607364
N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301724
N-(3-methylbutylcarbamoyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644254
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
CID 39258593
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
2-(azepan-1-ium-1-yl)-N-(propylcarbamoyl)acetamide
CID 8895762

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide (CID 40706145) is 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is DWZOSCTZQQHFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-9-14-13(18)15-12(17)10-16(2)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 40706145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).