1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea

C17H25N3O4 — CID 71935595

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea
SMILESCOc1ccc(OC)c(CN(C)C(=O)NC2CCCCNC2=O)c1
InChIInChI=1S/C17H25N3O4/c1-20(11-12-10-13(23-2)7-8-15(12)24-3)17(22)19-14-6-4-5-9-18-16(14)21/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyIBGBNDHJBVXMSP-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.51
Rot. Bonds5

About 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea

1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea (PubChem CID 71935595) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea
PubChem CID71935595
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea
SMILESCOc1ccc(OC)c(CN(C)C(=O)NC2CCCCNC2=O)c1
InChIInChI=1S/C17H25N3O4/c1-20(11-12-10-13(23-2)7-8-15(12)24-3)17(22)19-14-6-4-5-9-18-16(14)21/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyIBGBNDHJBVXMSP-UHFFFAOYSA-N
XLogP1.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea 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

1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030528
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
2-(3,4-dimethoxy-N-methylanilino)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94819772
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030634
1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 95614995
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 125447458
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide
CID 95122255
(3S)-3-[(5-bromo-2-methoxyphenyl)methylamino]azepan-2-one
CID 93263397
1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea
CID 166243112

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea (CID 71935595) is 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea is COc1ccc(OC)c(CN(C)C(=O)NC2CCCCNC2=O)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea?
The InChIKey is IBGBNDHJBVXMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-20(11-12-10-13(23-2)7-8-15(12)24-3)17(22)19-14-6-4-5-9-18-16(14)21/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea?
1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea has a molecular weight of 335.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea is sourced from PubChem (CID 71935595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).