1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea

C15H21N3O2 — CID 47248762

IUPAC1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
SMILESCN(Cc1ccccc1)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C15H21N3O2/c1-18(11-12-7-3-2-4-8-12)15(20)17-13-9-5-6-10-16-14(13)19/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyXPURDLIREANZGU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.50
Rot. Bonds3

About 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea

1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea (PubChem CID 47248762) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
PubChem CID47248762
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
SMILESCN(Cc1ccccc1)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C15H21N3O2/c1-18(11-12-7-3-2-4-8-12)15(20)17-13-9-5-6-10-16-14(13)19/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyXPURDLIREANZGU-UHFFFAOYSA-N
XLogP1.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030634
1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030528
1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 71935595
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058373
1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea
CID 166243112
2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide
CID 75390361
1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 122569454
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
CID 51111526

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea?
The IUPAC name of 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea (CID 47248762) is 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea.
What is the SMILES notation for 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea?
The canonical SMILES for 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea is CN(Cc1ccccc1)C(=O)NC1CCCCNC1=O.
What is the InChIKey of 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea?
The InChIKey is XPURDLIREANZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(11-12-7-3-2-4-8-12)15(20)17-13-9-5-6-10-16-14(13)19/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea?
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea has a molecular weight of 275.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea is sourced from PubChem (CID 47248762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).