1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea

C16H24N2O2 — CID 100748872

IUPAC1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
SMILESCCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21
InChIInChI=1S/C16H24N2O2/c1-5-8-17-15(19)18-13-10-16(3,4)20-14-7-6-11(2)9-12(13)14/h6-7,9,13H,5,8,10H2,1-4H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyGJDOGEGFGWPDHG-CYBMUJFWSA-N
MW276.38 g/mol
LogP3.31
Rot. Bonds3

About 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea

1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea (PubChem CID 100748872) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea.

Molecular Properties

Compound Name1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
PubChem CID100748872
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
SMILESCCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21
InChIInChI=1S/C16H24N2O2/c1-5-8-17-15(19)18-13-10-16(3,4)20-14-7-6-11(2)9-12(13)14/h6-7,9,13H,5,8,10H2,1-4H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyGJDOGEGFGWPDHG-CYBMUJFWSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889
2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651818
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea
CID 11208334
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133256865
1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
CID 132652579
2-(2-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 30218964
1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 99970758
3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651952
2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 99993350

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea?
The IUPAC name of 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea (CID 100748872) is 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea.
What is the SMILES notation for 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea?
The canonical SMILES for 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea is CCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21.
What is the InChIKey of 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea?
The InChIKey is GJDOGEGFGWPDHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-8-17-15(19)18-13-10-16(3,4)20-14-7-6-11(2)9-12(13)14/h6-7,9,13H,5,8,10H2,1-4H3,(H2,17,18,19)/t13-/m1/s1.
What are the key properties of 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea?
1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea has a molecular weight of 276.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea is sourced from PubChem (CID 100748872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).