1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea

C13H22N4O3 — CID 23348612

IUPAC1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea
SMILESO=C(NCN1CCCCCC1=O)NCN1CCCC1=O
InChIInChI=1S/C13H22N4O3/c18-11-5-2-1-3-7-16(11)9-14-13(20)15-10-17-8-4-6-12(17)19/h1-10H2,(H2,14,15,20)
InChIKeyJCZOPUAOTJUSOZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.23
Rot. Bonds4

About 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea

1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea (PubChem CID 23348612) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea
PubChem CID23348612
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea
SMILESO=C(NCN1CCCCCC1=O)NCN1CCCC1=O
InChIInChI=1S/C13H22N4O3/c18-11-5-2-1-3-7-16(11)9-14-13(20)15-10-17-8-4-6-12(17)19/h1-10H2,(H2,14,15,20)
InChIKeyJCZOPUAOTJUSOZ-UHFFFAOYSA-N
XLogP0.23
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[(2-oxoazonan-1-yl)methyl]urea
CID 23348617
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
2-(2-oxopiperidin-1-yl)acetate
CID 18981165
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
CID 66173577
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
1-prop-2-ynylazocan-2-one
CID 61344680

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea?
The IUPAC name of 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea (CID 23348612) is 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea.
What is the SMILES notation for 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea?
The canonical SMILES for 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea is O=C(NCN1CCCCCC1=O)NCN1CCCC1=O.
What is the InChIKey of 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea?
The InChIKey is JCZOPUAOTJUSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c18-11-5-2-1-3-7-16(11)9-14-13(20)15-10-17-8-4-6-12(17)19/h1-10H2,(H2,14,15,20).
What are the key properties of 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea?
1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea has a molecular weight of 282.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea is sourced from PubChem (CID 23348612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).