1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea

C14H20N2O3 — CID 125170007

IUPAC1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H]2CCOC2)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-10-7-12(18-2)3-4-13(10)16-14(17)15-8-11-5-6-19-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H2,15,16,17)/t11-/m0/s1
InChIKeyWAASRVCGZWTVOH-NSHDSACASA-N
MW264.32 g/mol
LogP2.16
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea

1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 125170007) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID125170007
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NC[C@@H]2CCOC2)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-10-7-12(18-2)3-4-13(10)16-14(17)15-8-11-5-6-19-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H2,15,16,17)/t11-/m0/s1
InChIKeyWAASRVCGZWTVOH-NSHDSACASA-N
XLogP2.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid
CID 113305078
1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95323347
N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide
CID 125161688
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107209471
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94198923
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108912803
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea (CID 125170007) is 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea is COc1ccc(NC(=O)NC[C@@H]2CCOC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is WAASRVCGZWTVOH-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-12(18-2)3-4-13(10)16-14(17)15-8-11-5-6-19-9-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H2,15,16,17)/t11-/m0/s1.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea?
1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 264.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 125170007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).