1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea

C16H24N2O3 — CID 100748889

IUPAC1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
SMILESCCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21
InChIInChI=1S/C16H24N2O3/c1-5-8-17-15(19)18-13-10-16(2,3)21-14-7-6-11(20-4)9-12(13)14/h6-7,9,13H,5,8,10H2,1-4H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyAMNNBYMZNWGVBH-CYBMUJFWSA-N
MW292.38 g/mol
LogP3.01
Rot. Bonds4

About 1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea

1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea (PubChem CID 100748889) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
PubChem CID100748889
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
SMILESCCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21
InChIInChI=1S/C16H24N2O3/c1-5-8-17-15(19)18-13-10-16(2,3)21-14-7-6-11(20-4)9-12(13)14/h6-7,9,13H,5,8,10H2,1-4H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyAMNNBYMZNWGVBH-CYBMUJFWSA-N
XLogP3.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
CID 100748872
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
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-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746490
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746497
5-ethyl-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125167898
1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 132654329
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methoxyphenoxy)butanamide
CID 132661080
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea
CID 11208334
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenylsulfanylacetamide
CID 132653944
2-(3-bromophenyl)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701277

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea?
The IUPAC name of 1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea (CID 100748889) is 1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea.
What is the SMILES notation for 1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea?
The canonical SMILES for 1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea is CCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21.
What is the InChIKey of 1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea?
The InChIKey is AMNNBYMZNWGVBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-8-17-15(19)18-13-10-16(2,3)21-14-7-6-11(20-4)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-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea?
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea has a molecular weight of 292.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea is sourced from PubChem (CID 100748889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).