1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea

C20H24N2O4 — CID 100746497

IUPAC1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1
InChIInChI=1S/C20H24N2O4/c1-20(2)12-17(16-11-15(25-4)8-9-18(16)26-20)22-19(23)21-13-6-5-7-14(10-13)24-3/h5-11,17H,12H2,1-4H3,(H2,21,22,23)/t17-/m0/s1
InChIKeyCKBAMAKNLDEEOE-KRWDZBQOSA-N
MW356.42 g/mol
LogP4.13
Rot. Bonds4

About 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea

1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea (PubChem CID 100746497) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
PubChem CID100746497
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1
InChIInChI=1S/C20H24N2O4/c1-20(2)12-17(16-11-15(25-4)8-9-18(16)26-20)22-19(23)21-13-6-5-7-14(10-13)24-3/h5-11,17H,12H2,1-4H3,(H2,21,22,23)/t17-/m0/s1
InChIKeyCKBAMAKNLDEEOE-KRWDZBQOSA-N
XLogP4.13
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746490
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methoxyphenyl)urea
CID 133204294
1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 132654329
1-(3-methoxyphenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133155109
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-phenylthiourea
CID 99997514
1-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)thiourea
CID 100684096
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
CID 132652579
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methoxyphenoxy)butanamide
CID 132661080
1-(3,4-dimethylphenyl)-3-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100720623

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea (CID 100746497) is 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1.
What is the InChIKey of 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is CKBAMAKNLDEEOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2)12-17(16-11-15(25-4)8-9-18(16)26-20)22-19(23)21-13-6-5-7-14(10-13)24-3/h5-11,17H,12H2,1-4H3,(H2,21,22,23)/t17-/m0/s1.
What are the key properties of 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea?
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 356.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 100746497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).