3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea

C24H33N3O3 — CID 86893050

IUPAC3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(CCN(C)C)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C24H33N3O3/c1-26(2)12-13-27(14-16-29-3)24(28)25-18-19-6-8-20(9-7-19)21-10-11-23-22(17-21)5-4-15-30-23/h6-11,17H,4-5,12-16,18H2,1-3H3,(H,25,28)
InChIKeyOQZKFRVNKGGFPP-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.40
Rot. Bonds9

About 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea

3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea (PubChem CID 86893050) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea
PubChem CID86893050
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(CCN(C)C)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C24H33N3O3/c1-26(2)12-13-27(14-16-29-3)24(28)25-18-19-6-8-20(9-7-19)21-10-11-23-22(17-21)5-4-15-30-23/h6-11,17H,4-5,12-16,18H2,1-3H3,(H,25,28)
InChIKeyOQZKFRVNKGGFPP-UHFFFAOYSA-N
XLogP3.40
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea with MolForge

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Related Compounds

2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988314
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CID 120988039
3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea
CID 86886383
N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119308776
1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166182728
3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 44756384
1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
CID 115258559
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 138042333
2-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
CID 138002194
methyl 3-(3,4-dihydro-2H-chromen-6-ylmethylamino)propanoate
CID 115232397
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CID 47081476

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea (CID 86893050) is 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea is COCCN(CCN(C)C)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea?
The InChIKey is OQZKFRVNKGGFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-26(2)12-13-27(14-16-29-3)24(28)25-18-19-6-8-20(9-7-19)21-10-11-23-22(17-21)5-4-15-30-23/h6-11,17H,4-5,12-16,18H2,1-3H3,(H,25,28).
What are the key properties of 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea?
3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea has a molecular weight of 411.55 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 86893050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).