1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea

C20H22N2O3 — CID 46182038

IUPAC1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
SMILESCOCC1(C)C=Cc2cc(NC(=O)NCc3ccccc3)ccc2O1
InChIInChI=1S/C20H22N2O3/c1-20(14-24-2)11-10-16-12-17(8-9-18(16)25-20)22-19(23)21-13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyPKCSFFRXYKMHRY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.82
Rot. Bonds5

About 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea

1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea (PubChem CID 46182038) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
PubChem CID46182038
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
SMILESCOCC1(C)C=Cc2cc(NC(=O)NCc3ccccc3)ccc2O1
InChIInChI=1S/C20H22N2O3/c1-20(14-24-2)11-10-16-12-17(8-9-18(16)25-20)22-19(23)21-13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyPKCSFFRXYKMHRY-UHFFFAOYSA-N
XLogP3.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
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1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea
CID 142698899
1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
CID 46182294
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea
CID 142698908
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ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
1-benzyl-3-(9H-carbazol-3-yl)urea
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1-(1,3-benzoxazol-5-yl)-3-benzylurea
CID 110748624
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
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CID 2822822

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea?
The IUPAC name of 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea (CID 46182038) is 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea?
The canonical SMILES for 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea is COCC1(C)C=Cc2cc(NC(=O)NCc3ccccc3)ccc2O1.
What is the InChIKey of 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea?
The InChIKey is PKCSFFRXYKMHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(14-24-2)11-10-16-12-17(8-9-18(16)25-20)22-19(23)21-13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea?
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea has a molecular weight of 338.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea is sourced from PubChem (CID 46182038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).