2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide

C9H17N3O2 — CID 102848257

IUPAC2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide
SMILESCC(C(N)=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C9H17N3O2/c1-7(9(10)14)12-5-3-4-11(2)8(13)6-12/h7H,3-6H2,1-2H3,(H2,10,14)
InChIKeyYSPGTCZSWMOTOL-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.98
Rot. Bonds2

About 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide

2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide (PubChem CID 102848257) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide
PubChem CID102848257
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide
SMILESCC(C(N)=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C9H17N3O2/c1-7(9(10)14)12-5-3-4-11(2)8(13)6-12/h7H,3-6H2,1-2H3,(H2,10,14)
InChIKeyYSPGTCZSWMOTOL-UHFFFAOYSA-N
XLogP-0.98
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-pyrrolidin-1-ylpropanamide
CID 39248173
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102889589
4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 102892939
2-pyrrolidin-1-ylpropanamide;dihydrochloride
CID 142642428
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 102889475
3-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanethioamide
CID 102889127
4-(1-aminobutan-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102888626
1-methylpyrrolidin-2-one;urea
CID 141281161
ethyl 2-methyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanoate
CID 102889466
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-methylpiperazin-2-one
CID 64695732
1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one
CID 102847763
1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one
CID 136674869

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide?
The IUPAC name of 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide (CID 102848257) is 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide?
The canonical SMILES for 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide is CC(C(N)=O)N1CCCN(C)C(=O)C1.
What is the InChIKey of 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide?
The InChIKey is YSPGTCZSWMOTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(9(10)14)12-5-3-4-11(2)8(13)6-12/h7H,3-6H2,1-2H3,(H2,10,14).
What are the key properties of 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide?
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 102848257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).