3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea

C17H29N3O2 — CID 111120559

IUPAC3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea
SMILESCCCCCN(CCO)C(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C17H29N3O2/c1-5-6-7-10-20(11-12-21)17(22)18-16-9-8-15(19(3)4)13-14(16)2/h8-9,13,21H,5-7,10-12H2,1-4H3,(H,18,22)
InChIKeyNSNGWLDOSJHIRV-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.08
Rot. Bonds8

About 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea

3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea (PubChem CID 111120559) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea.

Molecular Properties

Compound Name3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea
PubChem CID111120559
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea
SMILESCCCCCN(CCO)C(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C17H29N3O2/c1-5-6-7-10-20(11-12-21)17(22)18-16-9-8-15(19(3)4)13-14(16)2/h8-9,13,21H,5-7,10-12H2,1-4H3,(H,18,22)
InChIKeyNSNGWLDOSJHIRV-UHFFFAOYSA-N
XLogP3.08
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea 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

3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120344
3-(2,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120402
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120739
1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea
CID 15137572
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1-benzyl-3-(2,4-dimethylphenyl)-1-octadecylurea
CID 154191574
N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]-2-oxoheptadecanamide
CID 22957791
1-benzyl-3-(2,4-dimethylphenyl)-1-undecylurea
CID 15137562
3-(3,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120524
N-[4-(dimethylamino)-2-methylphenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833572
1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(6-hydroxyhexyl)urea
CID 15137699
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea?
The IUPAC name of 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea (CID 111120559) is 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea.
What is the SMILES notation for 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea?
The canonical SMILES for 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea is CCCCCN(CCO)C(=O)Nc1ccc(N(C)C)cc1C.
What is the InChIKey of 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea?
The InChIKey is NSNGWLDOSJHIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-6-7-10-20(11-12-21)17(22)18-16-9-8-15(19(3)4)13-14(16)2/h8-9,13,21H,5-7,10-12H2,1-4H3,(H,18,22).
What are the key properties of 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea?
3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea has a molecular weight of 307.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea is sourced from PubChem (CID 111120559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).