1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea

C17H26N2O3 — CID 99830440

IUPAC1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESCc1cc(C)cc(OCCNC(=O)NC[C@H]2CC[C@@H](O)C2)c1
InChIInChI=1S/C17H26N2O3/c1-12-7-13(2)9-16(8-12)22-6-5-18-17(21)19-11-14-3-4-15(20)10-14/h7-9,14-15,20H,3-6,10-11H2,1-2H3,(H2,18,19,21)/t14-,15+/m0/s1
InChIKeyKEUSJOWBPQABLM-LSDHHAIUSA-N
MW306.41 g/mol
LogP2.14
Rot. Bonds6

About 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea

1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea (PubChem CID 99830440) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
PubChem CID99830440
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESCc1cc(C)cc(OCCNC(=O)NC[C@H]2CC[C@@H](O)C2)c1
InChIInChI=1S/C17H26N2O3/c1-12-7-13(2)9-16(8-12)22-6-5-18-17(21)19-11-14-3-4-15(20)10-14/h7-9,14-15,20H,3-6,10-11H2,1-2H3,(H2,18,19,21)/t14-,15+/m0/s1
InChIKeyKEUSJOWBPQABLM-LSDHHAIUSA-N
XLogP2.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea 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

2-[5-(3,5-Dimethylphenoxy)pentylamino]ethanol
CID 2249966
2-(3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2861884
1-[1-(Hydroxymethyl)cyclopentyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 71917886
4-((3,5-Dimethylphenoxy)methyl)imidazolidin-2-one
CID 162625092
N-[2-(3,5-dimethylphenoxy)ethyl]cyclopentanecarboxamide
CID 30349831
1-(3-Methoxypropyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 45801316
3-(hydroxymethyl)-N-[2-(2-methylphenoxy)butyl]piperidine-1-carboxamide
CID 71977221
N-[2-(4-tert-butylphenoxy)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 84600363
1-(4-hydroxycyclohexyl)-3-[(2S)-1-(3-methylphenoxy)propan-2-yl]urea
CID 94462769
1-[(3-Hydroxycyclobutyl)methyl]-1-methyl-3-[2-(3-methylphenoxy)cyclohexyl]urea
CID 121520229
rac-(3S,4S)-4-(dimethylamino)-3-hydroxy-N-{2-[3-(3-methylbutoxy)phenyl]ethyl}piperidine-1-carboxamide
CID 124212186
1-[2-(3,5-Dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 52743862

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea (CID 99830440) is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea is Cc1cc(C)cc(OCCNC(=O)NC[C@H]2CC[C@@H](O)C2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The InChIKey is KEUSJOWBPQABLM-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-7-13(2)9-16(8-12)22-6-5-18-17(21)19-11-14-3-4-15(20)10-14/h7-9,14-15,20H,3-6,10-11H2,1-2H3,(H2,18,19,21)/t14-,15+/m0/s1.
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 99830440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).