1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

C23H28N2O5 — CID 41436663

IUPAC1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESO=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C23H28N2O5/c26-23(24-17-5-9-19(10-6-17)29-15-21-3-1-13-27-21)25-18-7-11-20(12-8-18)30-16-22-4-2-14-28-22/h5-12,21-22H,1-4,13-16H2,(H2,24,25,26)/t21-,22-/m0/s1
InChIKeyZCZJJZRILAJLLJ-VXKWHMMOSA-N
MW412.49 g/mol
LogP4.45
Rot. Bonds8

About 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (PubChem CID 41436663) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
PubChem CID41436663
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESO=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C23H28N2O5/c26-23(24-17-5-9-19(10-6-17)29-15-21-3-1-13-27-21)25-18-7-11-20(12-8-18)30-16-22-4-2-14-28-22/h5-12,21-22H,1-4,13-16H2,(H2,24,25,26)/t21-,22-/m0/s1
InChIKeyZCZJJZRILAJLLJ-VXKWHMMOSA-N
XLogP4.45
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
1-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119283523
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The IUPAC name of 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (CID 41436663) is 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The canonical SMILES for 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The InChIKey is ZCZJJZRILAJLLJ-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H28N2O5/c26-23(24-17-5-9-19(10-6-17)29-15-21-3-1-13-27-21)25-18-7-11-20(12-8-18)30-16-22-4-2-14-28-22/h5-12,21-22H,1-4,13-16H2,(H2,24,25,26)/t21-,22-/m0/s1.
What are the key properties of 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea has a molecular weight of 412.49 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 41436663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).