3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea

C18H26N2O3 — CID 124729741

IUPAC3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea
SMILESCOc1ccc2c(c1NC(=O)N(C)C[C@@H]1CCCOC1)CCC2
InChIInChI=1S/C18H26N2O3/c1-20(11-13-5-4-10-23-12-13)18(21)19-17-15-7-3-6-14(15)8-9-16(17)22-2/h8-9,13H,3-7,10-12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyGPYMGZHRFXWYAW-ZDUSSCGKSA-N
MW318.42 g/mol
LogP3.07
Rot. Bonds4

About 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea

3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea (PubChem CID 124729741) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea.

Molecular Properties

Compound Name3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea
PubChem CID124729741
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea
SMILESCOc1ccc2c(c1NC(=O)N(C)C[C@@H]1CCCOC1)CCC2
InChIInChI=1S/C18H26N2O3/c1-20(11-13-5-4-10-23-12-13)18(21)19-17-15-7-3-6-14(15)8-9-16(17)22-2/h8-9,13H,3-7,10-12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyGPYMGZHRFXWYAW-ZDUSSCGKSA-N
XLogP3.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methylurea
CID 124739343
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
3-(3-chloro-4-methoxyphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914983
1-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopentane-1-carboxamide
CID 124615693
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
3-(5-cyano-2-fluorophenyl)-1-methyl-1-(oxan-3-ylmethyl)urea
CID 127266309
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea?
The IUPAC name of 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea (CID 124729741) is 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea.
What is the SMILES notation for 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea?
The canonical SMILES for 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea is COc1ccc2c(c1NC(=O)N(C)C[C@@H]1CCCOC1)CCC2.
What is the InChIKey of 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea?
The InChIKey is GPYMGZHRFXWYAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(11-13-5-4-10-23-12-13)18(21)19-17-15-7-3-6-14(15)8-9-16(17)22-2/h8-9,13H,3-7,10-12H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea?
3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-1-methyl-1-[[(3S)-oxan-3-yl]methyl]urea is sourced from PubChem (CID 124729741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).