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

C11H21N3O2 — CID 53016510

IUPAC4-acetyl-N-propyl-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCN(C(C)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-3-5-12-11(16)14-7-4-6-13(8-9-14)10(2)15/h3-9H2,1-2H3,(H,12,16)
InChIKeyWXOLHALHQPSKPU-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.66
Rot. Bonds2

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

4-acetyl-N-propyl-1,4-diazepane-1-carboxamide (PubChem CID 53016510) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-acetyl-N-propyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-propyl-1,4-diazepane-1-carboxamide
PubChem CID53016510
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-acetyl-N-propyl-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCN(C(C)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-3-5-12-11(16)14-7-4-6-13(8-9-14)10(2)15/h3-9H2,1-2H3,(H,12,16)
InChIKeyWXOLHALHQPSKPU-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetylhomopiperazine
CID 4186202
N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 23090334
1-(1,4-Diazepan-1-yl)propan-1-one
CID 16776172
2-(4-Acetyl-1,4-diazepan-1-yl)ethanamine
CID 43251684
4-acetyl-N~1~-isopropyl-1,4-diazepane-1-carboxamide
CID 53016495
4-Acetyl-N-(butan-2-YL)-1,4-diazepane-1-carboxamide
CID 53016511
4-acetyl-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 53016516
4-acetyl-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide
CID 53016531
4-acetyl-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 53016540
5-Oxo-N-(propan-2-YL)-1,4-diazepane-1-carboxamide
CID 60968905
N,4-bis(3-methoxypropyl)-1,4-diazepane-1-carboxamide
CID 53622047
N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide
CID 59661790

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-propyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-acetyl-N-propyl-1,4-diazepane-1-carboxamide (CID 53016510) is 4-acetyl-N-propyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-propyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-propyl-1,4-diazepane-1-carboxamide is CCCNC(=O)N1CCCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-propyl-1,4-diazepane-1-carboxamide?
The InChIKey is WXOLHALHQPSKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-5-12-11(16)14-7-4-6-13(8-9-14)10(2)15/h3-9H2,1-2H3,(H,12,16).
What are the key properties of 4-acetyl-N-propyl-1,4-diazepane-1-carboxamide?
4-acetyl-N-propyl-1,4-diazepane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-propyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 53016510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).