1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea

C19H22N2O4 — CID 125156664

IUPAC1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCOc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCOC3)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-23-16-6-8-18(9-7-16)25-17-4-2-15(3-5-17)21-19(22)20-12-14-10-11-24-13-14/h2-9,14H,10-13H2,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyNOGXNXFHOBDOQM-AWEZNQCLSA-N
MW342.40 g/mol
LogP3.65
Rot. Bonds6

About 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea

1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 125156664) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID125156664
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCOc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCOC3)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-23-16-6-8-18(9-7-16)25-17-4-2-15(3-5-17)21-19(22)20-12-14-10-11-24-13-14/h2-9,14H,10-13H2,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyNOGXNXFHOBDOQM-AWEZNQCLSA-N
XLogP3.65
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107209471
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
CID 125178084
1-(cyclopropylmethyl)-3-[4-[[(3S)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626213
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea
CID 94652910
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 119104088
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
2-[3-(oxolan-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 62822807
1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95323347

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea (CID 125156664) is 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea is COc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCOC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is NOGXNXFHOBDOQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-23-16-6-8-18(9-7-16)25-17-4-2-15(3-5-17)21-19(22)20-12-14-10-11-24-13-14/h2-9,14H,10-13H2,1H3,(H2,20,21,22)/t14-/m0/s1.
What are the key properties of 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 342.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 125156664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).