1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea

C12H18N2O — CID 58988184

IUPAC1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
SMILESCNC(=O)NCc1cccc(C(C)C)c1
InChIInChI=1S/C12H18N2O/c1-9(2)11-6-4-5-10(7-11)8-14-12(15)13-3/h4-7,9H,8H2,1-3H3,(H2,13,14,15)
InChIKeyZHUOFDFCRHRAAK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.24
Rot. Bonds3

About 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea

1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea (PubChem CID 58988184) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
PubChem CID58988184
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
SMILESCNC(=O)NCc1cccc(C(C)C)c1
InChIInChI=1S/C12H18N2O/c1-9(2)11-6-4-5-10(7-11)8-14-12(15)13-3/h4-7,9H,8H2,1-3H3,(H2,13,14,15)
InChIKeyZHUOFDFCRHRAAK-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
CID 23563356
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
CID 20823796
ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
CID 142017066
N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353
1,1-dimethyl-3-[[3-[(methylcarbamoylamino)methyl]phenyl]methyl]urea
CID 139316626
cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 159103877
1-benzyl-3-methylurea;ethane
CID 90763782
3-[methyl-[(3-propan-2-ylphenyl)methylcarbamoyl]amino]propanoic acid
CID 122010578
3-[[(3-propan-2-ylphenyl)methylamino]methyl]benzoic acid
CID 122033043
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
4-(3-propan-2-ylphenyl)butan-2-one
CID 129128469

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea?
The IUPAC name of 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea (CID 58988184) is 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea is CNC(=O)NCc1cccc(C(C)C)c1.
What is the InChIKey of 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea?
The InChIKey is ZHUOFDFCRHRAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)11-6-4-5-10(7-11)8-14-12(15)13-3/h4-7,9H,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea?
1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea has a molecular weight of 206.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea is sourced from PubChem (CID 58988184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).