1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea

C14H22N2O2 — CID 110774552

IUPAC1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
SMILESCc1cc(NC(=O)NC(C)C)ccc1OC(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)15-14(17)16-12-6-7-13(11(5)8-12)18-10(3)4/h6-10H,1-5H3,(H2,15,16,17)
InChIKeyCRABDDNJBYUBCY-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.31
Rot. Bonds4

About 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea

1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea (PubChem CID 110774552) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
PubChem CID110774552
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
SMILESCc1cc(NC(=O)NC(C)C)ccc1OC(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)15-14(17)16-12-6-7-13(11(5)8-12)18-10(3)4/h6-10H,1-5H3,(H2,15,16,17)
InChIKeyCRABDDNJBYUBCY-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774555
1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71991952
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122085552
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802599
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685767
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582
2-(cyclopropylmethylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 119802601

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea (CID 110774552) is 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea is Cc1cc(NC(=O)NC(C)C)ccc1OC(C)C.
What is the InChIKey of 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea?
The InChIKey is CRABDDNJBYUBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)15-14(17)16-12-6-7-13(11(5)8-12)18-10(3)4/h6-10H,1-5H3,(H2,15,16,17).
What are the key properties of 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea?
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea has a molecular weight of 250.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 110774552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).