1-methyl-3-phenylurea;propane

C11H18N2O — CID 142949663

IUPAC1-methyl-3-phenylurea;propane
SMILESCCC.CNC(=O)Nc1ccccc1
InChIInChI=1S/C8H10N2O.C3H8/c1-9-8(11)10-7-5-3-2-4-6-7;1-3-2/h2-6H,1H3,(H2,9,10,11);3H2,1-2H3
InChIKeyVHRMQKPOIUZRIF-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.85
Rot. Bonds1

About 1-methyl-3-phenylurea;propane

1-methyl-3-phenylurea;propane (PubChem CID 142949663) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-3-phenylurea;propane.

Molecular Properties

Compound Name1-methyl-3-phenylurea;propane
PubChem CID142949663
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-methyl-3-phenylurea;propane
SMILESCCC.CNC(=O)Nc1ccccc1
InChIInChI=1S/C8H10N2O.C3H8/c1-9-8(11)10-7-5-3-2-4-6-7;1-3-2/h2-6H,1H3,(H2,9,10,11);3H2,1-2H3
InChIKeyVHRMQKPOIUZRIF-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 145326557
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CID 54250791
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CID 143679761
N-methylethanamine;N-phenylacetamide
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1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
1-[4-(butylamino)phenyl]-3-methylurea
CID 43744434
3-chloro-2,2-dimethyl-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 63680187
1-(2-ethylbutyl)-3-phenylurea
CID 54410955

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylurea;propane?
The IUPAC name of 1-methyl-3-phenylurea;propane (CID 142949663) is 1-methyl-3-phenylurea;propane.
What is the SMILES notation for 1-methyl-3-phenylurea;propane?
The canonical SMILES for 1-methyl-3-phenylurea;propane is CCC.CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-3-phenylurea;propane?
The InChIKey is VHRMQKPOIUZRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C3H8/c1-9-8(11)10-7-5-3-2-4-6-7;1-3-2/h2-6H,1H3,(H2,9,10,11);3H2,1-2H3.
What are the key properties of 1-methyl-3-phenylurea;propane?
1-methyl-3-phenylurea;propane has a molecular weight of 194.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylurea;propane is sourced from PubChem (CID 142949663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).