N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide

C11H19N5O4 — CID 62922120

IUPACN,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
SMILESNC(=O)CN(CC(N)=O)C(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C11H19N5O4/c12-8(17)6-16(7-9(13)18)11(20)10(19)15-4-1-2-14-3-5-15/h14H,1-7H2,(H2,12,17)(H2,13,18)
InChIKeyYIGQMLLZMHTFKH-UHFFFAOYSA-N
MW285.30 g/mol
LogP-3.39
Rot. Bonds4

About N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide

N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide (PubChem CID 62922120) has the molecular formula C11H19N5O4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
PubChem CID62922120
Molecular FormulaC11H19N5O4
Molecular Weight285.30 g/mol
Exact Mass285.14
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
SMILESNC(=O)CN(CC(N)=O)C(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C11H19N5O4/c12-8(17)6-16(7-9(13)18)11(20)10(19)15-4-1-2-14-3-5-15/h14H,1-7H2,(H2,12,17)(H2,13,18)
InChIKeyYIGQMLLZMHTFKH-UHFFFAOYSA-N
XLogP-3.39
TPSA138.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-3.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide with MolForge

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Related Compounds

2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide
CID 55157405
2-(1,4-diazepan-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 43374352
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(2,2,2-trifluoroethyl)acetamide
CID 60890278
N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 55249454
2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-2-oxoacetamide
CID 112663025
2-(1,4-diazepan-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-oxoacetamide
CID 54998306
[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylcarbamic acid
CID 155126001
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
CID 43586358
2-(1,4-diazepan-1-yl)-N-ethyl-N-(4-methylphenyl)-2-oxoacetamide
CID 62004026
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide (CID 62922120) is N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide is NC(=O)CN(CC(N)=O)C(=O)C(=O)N1CCCNCC1.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
The InChIKey is YIGQMLLZMHTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4/c12-8(17)6-16(7-9(13)18)11(20)10(19)15-4-1-2-14-3-5-15/h14H,1-7H2,(H2,12,17)(H2,13,18).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide?
N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide has a molecular weight of 285.30 g/mol, XLogP of -3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide is sourced from PubChem (CID 62922120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).