1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea

C13H18N2O — CID 70519358

IUPAC1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
SMILESC=C(C)N(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(2)15(4)13(16)14(3)10-12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3
InChIKeyKRFWCOFUSKFHTK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.70
Rot. Bonds3

About 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea

1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea (PubChem CID 70519358) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
PubChem CID70519358
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
SMILESC=C(C)N(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(2)15(4)13(16)14(3)10-12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3
InChIKeyKRFWCOFUSKFHTK-UHFFFAOYSA-N
XLogP2.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide
CID 53235919
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CID 91699922
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
fluoro N-benzyl-N-methylcarbamate
CID 144758254
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 5018753
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-N-methyl-2-oxo-2-phenylacetamide
CID 15890511
3-amino-1-benzyl-1-methylurea
CID 43163959
N-benzyl-N-methylprop-2-ynamide
CID 87311570

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea?
The IUPAC name of 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea (CID 70519358) is 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea is C=C(C)N(C)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea?
The InChIKey is KRFWCOFUSKFHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(2)15(4)13(16)14(3)10-12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3.
What are the key properties of 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea?
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea has a molecular weight of 218.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea is sourced from PubChem (CID 70519358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).