1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea

C13H19N3O2 — CID 12876113

IUPAC1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea
SMILESCCCN(C(=O)Nc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C13H19N3O2/c1-4-10-16(13(18)15(2)3)12(17)14-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,14,17)
InChIKeyUCYFDXWOFUUNHI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.61
Rot. Bonds3

About 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea

1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea (PubChem CID 12876113) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea
PubChem CID12876113
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea
SMILESCCCN(C(=O)Nc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C13H19N3O2/c1-4-10-16(13(18)15(2)3)12(17)14-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,14,17)
InChIKeyUCYFDXWOFUUNHI-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[dimethylcarbamoyl(propyl)amino]-N-phenylpropanamide
CID 75519630
1-benzyl-3-phenyl-1-propylurea
CID 78786424
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
1-(3-bromopropyl)-1-methyl-3-phenylurea
CID 106441527
1-(ethylcarbamoyl)-1-methyl-3-phenylurea
CID 12876426
1-chloro-1-methyl-3-phenylurea
CID 173170547
ethane;1-methyl-3-(4-methylphenyl)-1-propylurea
CID 142207328
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
CID 102002334
1-ethyl-1-hexyl-3-phenylurea
CID 168918798
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea?
The IUPAC name of 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea (CID 12876113) is 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea.
What is the SMILES notation for 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea?
The canonical SMILES for 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea is CCCN(C(=O)Nc1ccccc1)C(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea?
The InChIKey is UCYFDXWOFUUNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-10-16(13(18)15(2)3)12(17)14-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,14,17).
What are the key properties of 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea?
1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea has a molecular weight of 249.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea is sourced from PubChem (CID 12876113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).