3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione

C16H20N2O2 — CID 64881777

IUPAC3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CC2CC2)C(=O)C(Cc2ccccc2)N1
InChIInChI=1S/C16H20N2O2/c19-15-8-9-18(11-13-6-7-13)16(20)14(17-15)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,19)
InChIKeyYUHQROQCIKIWKU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.36
Rot. Bonds4

About 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione

3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione (PubChem CID 64881777) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione
PubChem CID64881777
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CC2CC2)C(=O)C(Cc2ccccc2)N1
InChIInChI=1S/C16H20N2O2/c19-15-8-9-18(11-13-6-7-13)16(20)14(17-15)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,19)
InChIKeyYUHQROQCIKIWKU-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64881776
3-benzyl-1-pentyl-1,4-diazepane-2,5-dione
CID 64881775
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64969237
3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
(3R)-1-benzyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 102440944
1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59324773
(3S)-3-[(1-benzylimidazol-4-yl)methyl]-1-[(2-phenylcyclobutyl)methyl]-1,4-diazepane-2,5-dione
CID 154849517
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721
3-benzyl-1-cyclobutylpiperazine-2,5-dione
CID 64969345
3-benzyl-1-hex-5-ynylpiperazine-2,5-dione
CID 106210867
1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64968026
5-benzyl-3-(cyclopropylmethyl)-2-propylimidazolidin-4-one
CID 83251332

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione (CID 64881777) is 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione is O=C1CCN(CC2CC2)C(=O)C(Cc2ccccc2)N1.
What is the InChIKey of 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione?
The InChIKey is YUHQROQCIKIWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-8-9-18(11-13-6-7-13)16(20)14(17-15)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,19).
What are the key properties of 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione?
3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64881777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).