1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea

C19H30N2O3 — CID 109398837

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)N(C)CC2CCCC2O)c(OC(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-13(2)24-18-10-14(3)8-9-15(18)11-20-19(23)21(4)12-16-6-5-7-17(16)22/h8-10,13,16-17,22H,5-7,11-12H2,1-4H3,(H,20,23)
InChIKeyVRVZFTTYUGDANS-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.08
Rot. Bonds6

About 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea (PubChem CID 109398837) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
PubChem CID109398837
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)N(C)CC2CCCC2O)c(OC(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-13(2)24-18-10-14(3)8-9-15(18)11-20-19(23)21(4)12-16-6-5-7-17(16)22/h8-10,13,16-17,22H,5-7,11-12H2,1-4H3,(H,20,23)
InChIKeyVRVZFTTYUGDANS-UHFFFAOYSA-N
XLogP3.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 97326930
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
3-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012767
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016193
(2S,5R)-5-(aminomethyl)-N-[(4-methyl-2-propan-2-yloxyphenyl)methyl]oxolane-2-carboxamide
CID 120795614
1-[(3-hydroxycyclopentyl)methyl]-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 86819026
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111470995
1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea
CID 110012782
3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398774
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 109397494
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea
CID 110012762

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea (CID 109398837) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea is Cc1ccc(CNC(=O)N(C)CC2CCCC2O)c(OC(C)C)c1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is VRVZFTTYUGDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)24-18-10-14(3)8-9-15(18)11-20-19(23)21(4)12-16-6-5-7-17(16)22/h8-10,13,16-17,22H,5-7,11-12H2,1-4H3,(H,20,23).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 334.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 109398837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).