1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea

C15H22N2O4 — CID 3670112

IUPAC1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C15H22N2O4/c1-10-5-6-13(19-4)12(7-10)17-14(18)16-8-11-9-20-15(2,3)21-11/h5-7,11H,8-9H2,1-4H3,(H2,16,17,18)
InChIKeyHUKDLNBVYGGWSY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.28
Rot. Bonds4

About 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 3670112) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID3670112
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C15H22N2O4/c1-10-5-6-13(19-4)12(7-10)17-14(18)16-8-11-9-20-15(2,3)21-11/h5-7,11H,8-9H2,1-4H3,(H2,16,17,18)
InChIKeyHUKDLNBVYGGWSY-UHFFFAOYSA-N
XLogP2.28
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 18583889
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(4-bromo-2,6-dimethylphenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
CID 3670010
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609182
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 111976234
1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 56754509
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 97022435

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea (CID 3670112) is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is HUKDLNBVYGGWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-5-6-13(19-4)12(7-10)17-14(18)16-8-11-9-20-15(2,3)21-11/h5-7,11H,8-9H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 294.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 3670112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).