1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea

C17H26N2O3 — CID 111618593

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccc(OCCNC(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13(2)14-3-5-15(6-4-14)22-10-9-18-16(21)19-11-17(12-20)7-8-17/h3-6,13,20H,7-12H2,1-2H3,(H2,18,19,21)
InChIKeyNONFKYWUNJIOCC-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.26
Rot. Bonds8

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea (PubChem CID 111618593) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
PubChem CID111618593
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccc(OCCNC(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13(2)14-3-5-15(6-4-14)22-10-9-18-16(21)19-11-17(12-20)7-8-17/h3-6,13,20H,7-12H2,1-2H3,(H2,18,19,21)
InChIKeyNONFKYWUNJIOCC-UHFFFAOYSA-N
XLogP2.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]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

1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119296017
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
1-(3-cyanophenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972654
1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 86995782
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea (CID 111618593) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea is CC(C)c1ccc(OCCNC(=O)NCC2(CO)CC2)cc1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is NONFKYWUNJIOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)14-3-5-15(6-4-14)22-10-9-18-16(21)19-11-17(12-20)7-8-17/h3-6,13,20H,7-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 111618593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).