N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide

C10H19N3O2 — CID 136579508

IUPACN,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
SMILESCN(C)C(=O)CCN1CCNC(=O)CC1
InChIInChI=1S/C10H19N3O2/c1-12(2)10(15)4-7-13-6-3-9(14)11-5-8-13/h3-8H2,1-2H3,(H,11,14)
InChIKeyNVJJKOVAUKCIGK-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.71
Rot. Bonds3

About N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide

N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide (PubChem CID 136579508) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
PubChem CID136579508
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
SMILESCN(C)C(=O)CCN1CCNC(=O)CC1
InChIInChI=1S/C10H19N3O2/c1-12(2)10(15)4-7-13-6-3-9(14)11-5-8-13/h3-8H2,1-2H3,(H,11,14)
InChIKeyNVJJKOVAUKCIGK-UHFFFAOYSA-N
XLogP-0.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63004460
4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 63004132
1-[2-(tert-butylamino)ethyl]-1,4-diazepan-5-one
CID 107446478
N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976767
N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63003549
1-[4-(4-bromophenyl)-4-oxobutyl]-1,4-diazepan-5-one
CID 63003978
1-propyl-1,4-diazocan-5-one
CID 117015407
3-methyl-4-(5-oxo-1,4-diazepan-1-yl)but-2-enoic acid
CID 77006071
2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide
CID 63582967
ethyl 3-hydroxy-4-(5-oxo-1,4-diazepan-1-yl)butanoate
CID 82768810
N,N-dimethyl-2-[methyl-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]acetamide
CID 30758749
3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63337622

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide (CID 136579508) is N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide is CN(C)C(=O)CCN1CCNC(=O)CC1.
What is the InChIKey of N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide?
The InChIKey is NVJJKOVAUKCIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-12(2)10(15)4-7-13-6-3-9(14)11-5-8-13/h3-8H2,1-2H3,(H,11,14).
What are the key properties of N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide?
N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide has a molecular weight of 213.28 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 136579508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).