1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea

C16H26N2O2 — CID 111861314

IUPAC1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea
SMILESCCc1ccc(C(C)(C)CNC(=O)NCCCO)cc1
InChIInChI=1S/C16H26N2O2/c1-4-13-6-8-14(9-7-13)16(2,3)12-18-15(20)17-10-5-11-19/h6-9,19H,4-5,10-12H2,1-3H3,(H2,17,18,20)
InChIKeyYOBQFAWSABVHSN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds7

About 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea

1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea (PubChem CID 111861314) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea
PubChem CID111861314
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea
SMILESCCc1ccc(C(C)(C)CNC(=O)NCCCO)cc1
InChIInChI=1S/C16H26N2O2/c1-4-13-6-8-14(9-7-13)16(2,3)12-18-15(20)17-10-5-11-19/h6-9,19H,4-5,10-12H2,1-3H3,(H2,17,18,20)
InChIKeyYOBQFAWSABVHSN-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119802083
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
CID 113213370
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153
3-[[N-[2-(4-ethylphenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 109465150
4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide
CID 120563338
3-(4-ethylphenyl)-3-methylbutan-1-ol
CID 79837245
3-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122000714
3-[[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122011306
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119334148
5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid
CID 167786368

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea (CID 111861314) is 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea is CCc1ccc(C(C)(C)CNC(=O)NCCCO)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea?
The InChIKey is YOBQFAWSABVHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-13-6-8-14(9-7-13)16(2,3)12-18-15(20)17-10-5-11-19/h6-9,19H,4-5,10-12H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea?
1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111861314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).