1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea

C12H25N5O2 — CID 23526165

IUPAC1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea
SMILESCN(C)NC(=O)N(C)N(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H25N5O2/c1-15(2)14-12(19)17(4)16(3)11(18)13-10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,13,18)(H,14,19)
InChIKeyOTIKWRZUVUWQNJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.99
Rot. Bonds2

About 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea

1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea (PubChem CID 23526165) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea.

Molecular Properties

Compound Name1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea
PubChem CID23526165
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Name1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea
SMILESCN(C)NC(=O)N(C)N(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H25N5O2/c1-15(2)14-12(19)17(4)16(3)11(18)13-10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,13,18)(H,14,19)
InChIKeyOTIKWRZUVUWQNJ-UHFFFAOYSA-N
XLogP0.99
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea?
The IUPAC name of 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea (CID 23526165) is 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea.
What is the SMILES notation for 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea?
The canonical SMILES for 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea is CN(C)NC(=O)N(C)N(C)C(=O)NC1CCCCC1.
What is the InChIKey of 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea?
The InChIKey is OTIKWRZUVUWQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-15(2)14-12(19)17(4)16(3)11(18)13-10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,13,18)(H,14,19).
What are the key properties of 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea?
1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea has a molecular weight of 271.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexylcarbamoyl(methyl)amino]-3-(dimethylamino)-1-methylurea is sourced from PubChem (CID 23526165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).