1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea

C19H24N2O4 — CID 97219941

IUPAC1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOC[C@H](NC(=O)N[C@H]1CCOc2c(C)cc(C)cc21)c1ccco1
InChIInChI=1S/C19H24N2O4/c1-12-9-13(2)18-14(10-12)15(6-8-25-18)20-19(22)21-16(11-23-3)17-5-4-7-24-17/h4-5,7,9-10,15-16H,6,8,11H2,1-3H3,(H2,20,21,22)/t15-,16-/m0/s1
InChIKeyPARZNSPDDRPYIL-HOTGVXAUSA-N
MW344.41 g/mol
LogP3.41
Rot. Bonds5

About 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea

1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea (PubChem CID 97219941) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea.

Molecular Properties

Compound Name1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea
PubChem CID97219941
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOC[C@H](NC(=O)N[C@H]1CCOc2c(C)cc(C)cc21)c1ccco1
InChIInChI=1S/C19H24N2O4/c1-12-9-13(2)18-14(10-12)15(6-8-25-18)20-19(22)21-16(11-23-3)17-5-4-7-24-17/h4-5,7,9-10,15-16H,6,8,11H2,1-3H3,(H2,20,21,22)/t15-,16-/m0/s1
InChIKeyPARZNSPDDRPYIL-HOTGVXAUSA-N
XLogP3.41
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea with MolForge

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Related Compounds

1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999589
1-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999591
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4-hydroxycyclohexyl)urea
CID 111566418
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 97024875
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 97024874
N-[8-(1-hydroxy-2-methoxyethyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175095
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea
CID 97091397
N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide
CID 51104169
1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 75508670
1-(3-acetylphenyl)-3-[(4R)-8-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-yl]urea
CID 52858798
1-(2,2-difluoroethyl)-3-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]urea
CID 86807127
N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175106

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea?
The IUPAC name of 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea (CID 97219941) is 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea.
What is the SMILES notation for 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea?
The canonical SMILES for 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea is COC[C@H](NC(=O)N[C@H]1CCOc2c(C)cc(C)cc21)c1ccco1.
What is the InChIKey of 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea?
The InChIKey is PARZNSPDDRPYIL-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-9-13(2)18-14(10-12)15(6-8-25-18)20-19(22)21-16(11-23-3)17-5-4-7-24-17/h4-5,7,9-10,15-16H,6,8,11H2,1-3H3,(H2,20,21,22)/t15-,16-/m0/s1.
What are the key properties of 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea?
1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea has a molecular weight of 344.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea is sourced from PubChem (CID 97219941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).