2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide

C12H22N4O3 — CID 54916224

IUPAC2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide
SMILESCCC(=O)N1CCCN(C(=O)CNC(=O)CN)CC1
InChIInChI=1S/C12H22N4O3/c1-2-11(18)15-4-3-5-16(7-6-15)12(19)9-14-10(17)8-13/h2-9,13H2,1H3,(H,14,17)
InChIKeyRTWCBJWTJMTYEU-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.47
Rot. Bonds4

About 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide

2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide (PubChem CID 54916224) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide
PubChem CID54916224
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide
SMILESCCC(=O)N1CCCN(C(=O)CNC(=O)CN)CC1
InChIInChI=1S/C12H22N4O3/c1-2-11(18)15-4-3-5-16(7-6-15)12(19)9-14-10(17)8-13/h2-9,13H2,1H3,(H,14,17)
InChIKeyRTWCBJWTJMTYEU-UHFFFAOYSA-N
XLogP-1.47
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 60847921
2-amino-N-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]acetamide
CID 60847583
2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60946727
4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 54872734
1-(4-propanoyl-1,4-diazepan-1-yl)butane-1,3-dione
CID 54916137
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60847225
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
2-amino-N-[2-oxo-2-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]acetamide
CID 60963316
N-[2-(azetidin-1-yl)-2-oxoethyl]acetamide
CID 121325487
1-[4-[2-(2,2,2-trifluoroethylamino)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 78958458
1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63126073

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide (CID 54916224) is 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide is CCC(=O)N1CCCN(C(=O)CNC(=O)CN)CC1.
What is the InChIKey of 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide?
The InChIKey is RTWCBJWTJMTYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-2-11(18)15-4-3-5-16(7-6-15)12(19)9-14-10(17)8-13/h2-9,13H2,1H3,(H,14,17).
What are the key properties of 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide?
2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide has a molecular weight of 270.33 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 54916224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).