3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione

C16H26N2O2 — CID 64883637

IUPAC3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C2CCCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C16H26N2O2/c1-11-9-14(19)17-15(13-5-3-2-4-6-13)16(20)18(11)10-12-7-8-12/h11-13,15H,2-10H2,1H3,(H,17,19)
InChIKeyYCEFSGVUKFPYHK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds3

About 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione

3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione (PubChem CID 64883637) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
PubChem CID64883637
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C2CCCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C16H26N2O2/c1-11-9-14(19)17-15(13-5-3-2-4-6-13)16(20)18(11)10-12-7-8-12/h11-13,15H,2-10H2,1H3,(H,17,19)
InChIKeyYCEFSGVUKFPYHK-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione (CID 64883637) is 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione is CC1CC(=O)NC(C2CCCCC2)C(=O)N1CC1CC1.
What is the InChIKey of 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione?
The InChIKey is YCEFSGVUKFPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-9-14(19)17-15(13-5-3-2-4-6-13)16(20)18(11)10-12-7-8-12/h11-13,15H,2-10H2,1H3,(H,17,19).
What are the key properties of 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione?
3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64883637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).