1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea

C19H30N2O3 — CID 122562663

IUPAC1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea
SMILESCCCOc1ccccc1C(C)NC(=O)N(C)CC1(CO)CCC1
InChIInChI=1S/C19H30N2O3/c1-4-12-24-17-9-6-5-8-16(17)15(2)20-18(23)21(3)13-19(14-22)10-7-11-19/h5-6,8-9,15,22H,4,7,10-14H2,1-3H3,(H,20,23)
InChIKeyHWBRXPSCKZBLIV-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.34
Rot. Bonds8

About 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea

1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea (PubChem CID 122562663) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea
PubChem CID122562663
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea
SMILESCCCOc1ccccc1C(C)NC(=O)N(C)CC1(CO)CCC1
InChIInChI=1S/C19H30N2O3/c1-4-12-24-17-9-6-5-8-16(17)15(2)20-18(23)21(3)13-19(14-22)10-7-11-19/h5-6,8-9,15,22H,4,7,10-14H2,1-3H3,(H,20,23)
InChIKeyHWBRXPSCKZBLIV-UHFFFAOYSA-N
XLogP3.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea with MolForge

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylacetamide
CID 131934224
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea
CID 125444288
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
CID 91836426
1-(2-propoxyphenyl)ethanol
CID 43503976
(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
CID 100556071
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 26882953
2-methyl-3-[methyl-[[(1R)-1-(2-methylsulfanylphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122013382
[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate
CID 4589541
1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea
CID 86881053

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea (CID 122562663) is 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea is CCCOc1ccccc1C(C)NC(=O)N(C)CC1(CO)CCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea?
The InChIKey is HWBRXPSCKZBLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-12-24-17-9-6-5-8-16(17)15(2)20-18(23)21(3)13-19(14-22)10-7-11-19/h5-6,8-9,15,22H,4,7,10-14H2,1-3H3,(H,20,23).
What are the key properties of 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea?
1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea has a molecular weight of 334.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea is sourced from PubChem (CID 122562663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).