1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea

C20H30N2O4 — CID 47066128

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
SMILESCC(C)COc1ccc(CNC(=O)NC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H30N2O4/c1-15(2)14-24-18-5-3-16(4-6-18)13-21-19(23)22-17-7-9-20(10-8-17)25-11-12-26-20/h3-6,15,17H,7-14H2,1-2H3,(H2,21,22,23)
InChIKeyKQHRNVJRFFTCMX-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.21
Rot. Bonds6

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea (PubChem CID 47066128) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
PubChem CID47066128
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
SMILESCC(C)COc1ccc(CNC(=O)NC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H30N2O4/c1-15(2)14-24-18-5-3-16(4-6-18)13-21-19(23)22-17-7-9-20(10-8-17)25-11-12-26-20/h3-6,15,17H,7-14H2,1-2H3,(H2,21,22,23)
InChIKeyKQHRNVJRFFTCMX-UHFFFAOYSA-N
XLogP3.21
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]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

1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 110774962
N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 110781155
1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea
CID 110775362
[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
CID 107229803
1,1,3-tris[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 175674842
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 60547827
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
CID 130752274
4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 111106413
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea (CID 47066128) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea is CC(C)COc1ccc(CNC(=O)NC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
The InChIKey is KQHRNVJRFFTCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-15(2)14-24-18-5-3-16(4-6-18)13-21-19(23)22-17-7-9-20(10-8-17)25-11-12-26-20/h3-6,15,17H,7-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea has a molecular weight of 362.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea is sourced from PubChem (CID 47066128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).