1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea

C17H23ClN2O3 — CID 99836340

IUPAC1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea
SMILESCc1cccc(Cl)c1NC(=O)NCC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23ClN2O3/c1-12-3-2-4-14(18)15(12)20-16(21)19-11-13-5-7-17(8-6-13)22-9-10-23-17/h2-4,13H,5-11H2,1H3,(H2,19,20,21)
InChIKeyQINIEDSXARXHMT-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.70
Rot. Bonds3

About 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea

1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea (PubChem CID 99836340) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea
PubChem CID99836340
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea
SMILESCc1cccc(Cl)c1NC(=O)NCC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23ClN2O3/c1-12-3-2-4-14(18)15(12)20-16(21)19-11-13-5-7-17(8-6-13)22-9-10-23-17/h2-4,13H,5-11H2,1H3,(H2,19,20,21)
InChIKeyQINIEDSXARXHMT-UHFFFAOYSA-N
XLogP3.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide
CID 86795692
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112525319
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
2-chloro-6-methyl-N-(oxan-4-ylmethyl)aniline
CID 66253970
CID 87634804
CID 87634804
2-(azetidin-3-yl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66254744
4-[(2-chloro-6-methylphenyl)carbamoylamino]butanoic acid
CID 66252746
1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 134086734
2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463759
1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108912803
N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107031797

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea (CID 99836340) is 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea is Cc1cccc(Cl)c1NC(=O)NCC1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea?
The InChIKey is QINIEDSXARXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-12-3-2-4-14(18)15(12)20-16(21)19-11-13-5-7-17(8-6-13)22-9-10-23-17/h2-4,13H,5-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea?
1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea has a molecular weight of 338.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea is sourced from PubChem (CID 99836340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).