1,3-bis[(2-oxoazonan-1-yl)methyl]urea

C19H34N4O3 — CID 23348617

IUPAC1,3-bis[(2-oxoazonan-1-yl)methyl]urea
SMILESO=C(NCN1CCCCCCCC1=O)NCN1CCCCCCCC1=O
InChIInChI=1S/C19H34N4O3/c24-17-11-7-3-1-5-9-13-22(17)15-20-19(26)21-16-23-14-10-6-2-4-8-12-18(23)25/h1-16H2,(H2,20,21,26)
InChIKeyDSUSATXHHXYORL-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.57
Rot. Bonds4

About 1,3-bis[(2-oxoazonan-1-yl)methyl]urea

1,3-bis[(2-oxoazonan-1-yl)methyl]urea (PubChem CID 23348617) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1,3-bis[(2-oxoazonan-1-yl)methyl]urea.

Molecular Properties

Compound Name1,3-bis[(2-oxoazonan-1-yl)methyl]urea
PubChem CID23348617
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name1,3-bis[(2-oxoazonan-1-yl)methyl]urea
SMILESO=C(NCN1CCCCCCCC1=O)NCN1CCCCCCCC1=O
InChIInChI=1S/C19H34N4O3/c24-17-11-7-3-1-5-9-13-22(17)15-20-19(26)21-16-23-14-10-6-2-4-8-12-18(23)25/h1-16H2,(H2,20,21,26)
InChIKeyDSUSATXHHXYORL-UHFFFAOYSA-N
XLogP2.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea
CID 23348612
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
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
1-prop-2-ynylazocan-2-one
CID 61344680
1-(2-pyrrolidin-1-ylprop-2-enyl)azepan-2-one
CID 142011041
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
1-(chloromethyl)azonan-2-one
CID 23348579

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-oxoazonan-1-yl)methyl]urea?
The IUPAC name of 1,3-bis[(2-oxoazonan-1-yl)methyl]urea (CID 23348617) is 1,3-bis[(2-oxoazonan-1-yl)methyl]urea.
What is the SMILES notation for 1,3-bis[(2-oxoazonan-1-yl)methyl]urea?
The canonical SMILES for 1,3-bis[(2-oxoazonan-1-yl)methyl]urea is O=C(NCN1CCCCCCCC1=O)NCN1CCCCCCCC1=O.
What is the InChIKey of 1,3-bis[(2-oxoazonan-1-yl)methyl]urea?
The InChIKey is DSUSATXHHXYORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c24-17-11-7-3-1-5-9-13-22(17)15-20-19(26)21-16-23-14-10-6-2-4-8-12-18(23)25/h1-16H2,(H2,20,21,26).
What are the key properties of 1,3-bis[(2-oxoazonan-1-yl)methyl]urea?
1,3-bis[(2-oxoazonan-1-yl)methyl]urea has a molecular weight of 366.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-oxoazonan-1-yl)methyl]urea is sourced from PubChem (CID 23348617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).