1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea

C14H20N2O3 — CID 110775217

IUPAC1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
SMILESCc1cc2c(cc1CNC(=O)NC(C)C)OCCO2
InChIInChI=1S/C14H20N2O3/c1-9(2)16-14(17)15-8-11-7-13-12(6-10(11)3)18-4-5-19-13/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17)
InChIKeyKWNNWJDEKFOROJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.97
Rot. Bonds3

About 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea

1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea (PubChem CID 110775217) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
PubChem CID110775217
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
SMILESCc1cc2c(cc1CNC(=O)NC(C)C)OCCO2
InChIInChI=1S/C14H20N2O3/c1-9(2)16-14(17)15-8-11-7-13-12(6-10(11)3)18-4-5-19-13/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17)
InChIKeyKWNNWJDEKFOROJ-UHFFFAOYSA-N
XLogP1.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoacetamide
CID 115166249
3-amino-2-hydroxy-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide
CID 115180554
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
1-(3-chlorophenyl)-3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea
CID 110775214
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794338
1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774931
4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide
CID 115156732
3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
CID 110789828
N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide
CID 110794339
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
CID 110794329
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
CID 82480683

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea (CID 110775217) is 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea is Cc1cc2c(cc1CNC(=O)NC(C)C)OCCO2.
What is the InChIKey of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea?
The InChIKey is KWNNWJDEKFOROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)16-14(17)15-8-11-7-13-12(6-10(11)3)18-4-5-19-13/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea?
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea has a molecular weight of 264.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 110775217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).