1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea

C23H24N2O3 — CID 1053006

IUPAC1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea
SMILESCC1(C)OC[C@@H](NC(=O)Nc2cccc3ccccc23)[C@H](c2ccccc2)O1
InChIInChI=1S/C23H24N2O3/c1-23(2)27-15-20(21(28-23)17-10-4-3-5-11-17)25-22(26)24-19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-21H,15H2,1-2H3,(H2,24,25,26)/t20-,21+/m1/s1
InChIKeySBTFAAZRFNIVMQ-RTWAWAEBSA-N
MW376.46 g/mol
LogP4.85
Rot. Bonds3

About 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea

1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea (PubChem CID 1053006) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea
PubChem CID1053006
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea
SMILESCC1(C)OC[C@@H](NC(=O)Nc2cccc3ccccc23)[C@H](c2ccccc2)O1
InChIInChI=1S/C23H24N2O3/c1-23(2)27-15-20(21(28-23)17-10-4-3-5-11-17)25-22(26)24-19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-21H,15H2,1-2H3,(H2,24,25,26)/t20-,21+/m1/s1
InChIKeySBTFAAZRFNIVMQ-RTWAWAEBSA-N
XLogP4.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea (CID 1053006) is 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea is CC1(C)OC[C@@H](NC(=O)Nc2cccc3ccccc23)[C@H](c2ccccc2)O1.
What is the InChIKey of 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea?
The InChIKey is SBTFAAZRFNIVMQ-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-23(2)27-15-20(21(28-23)17-10-4-3-5-11-17)25-22(26)24-19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-21H,15H2,1-2H3,(H2,24,25,26)/t20-,21+/m1/s1.
What are the key properties of 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea?
1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea has a molecular weight of 376.46 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 1053006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).