4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide

C14H25N3O2 — CID 53016540

IUPAC4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide
SMILESCC(=O)N1CCCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-12(18)16-8-5-9-17(11-10-16)14(19)15-13-6-3-2-4-7-13/h13H,2-11H2,1H3,(H,15,19)
InChIKeyHNZGCRDUYNJPMQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.58
Rot. Bonds1

About 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide

4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide (PubChem CID 53016540) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide
PubChem CID53016540
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide
SMILESCC(=O)N1CCCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-12(18)16-8-5-9-17(11-10-16)14(19)15-13-6-3-2-4-7-13/h13H,2-11H2,1H3,(H,15,19)
InChIKeyHNZGCRDUYNJPMQ-UHFFFAOYSA-N
XLogP1.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide (CID 53016540) is 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide is CC(=O)N1CCCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide?
The InChIKey is HNZGCRDUYNJPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-12(18)16-8-5-9-17(11-10-16)14(19)15-13-6-3-2-4-7-13/h13H,2-11H2,1H3,(H,15,19).
What are the key properties of 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide?
4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 53016540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).