1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea

C14H18N2O4 — CID 10333771

IUPAC1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1=COc2ccc(OC)cc2O1
InChIInChI=1S/C14H18N2O4/c1-3-6-15-14(17)16-8-11-9-19-12-5-4-10(18-2)7-13(12)20-11/h4-5,7,9H,3,6,8H2,1-2H3,(H2,15,16,17)
InChIKeyIYVPABIWLQSGSS-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.02
Rot. Bonds5

About 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea

1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea (PubChem CID 10333771) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea
PubChem CID10333771
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1=COc2ccc(OC)cc2O1
InChIInChI=1S/C14H18N2O4/c1-3-6-15-14(17)16-8-11-9-19-12-5-4-10(18-2)7-13(12)20-11/h4-5,7,9H,3,6,8H2,1-2H3,(H2,15,16,17)
InChIKeyIYVPABIWLQSGSS-UHFFFAOYSA-N
XLogP2.02
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
(6-methoxy-1,4-benzodioxin-3-yl)methanamine
CID 15372701
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea
CID 23360827
7-methoxy-N-propyl-1-benzoxepine-4-carboxamide
CID 20896732
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea (CID 10333771) is 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea is CCCNC(=O)NCC1=COc2ccc(OC)cc2O1.
What is the InChIKey of 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea?
The InChIKey is IYVPABIWLQSGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-6-15-14(17)16-8-11-9-19-12-5-4-10(18-2)7-13(12)20-11/h4-5,7,9H,3,6,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea?
1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea has a molecular weight of 278.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]-3-propylurea is sourced from PubChem (CID 10333771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).