2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide

C13H24N4O3 — CID 103112906

IUPAC2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C13H24N4O3/c1-4-16(3)12(19)10(2)15-11(18)13(20)17-8-5-6-14-7-9-17/h10,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyAVYUXDXJXOSLER-UHFFFAOYSA-N
MW284.36 g/mol
LogP-1.21
Rot. Bonds3

About 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide

2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103112906) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103112906
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C13H24N4O3/c1-4-16(3)12(19)10(2)15-11(18)13(20)17-8-5-6-14-7-9-17/h10,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyAVYUXDXJXOSLER-UHFFFAOYSA-N
XLogP-1.21
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43145054
2-(1,4-diazepan-1-yl)-N-hexan-3-yl-2-oxoacetamide
CID 55037919
2-(1,4-diazepan-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 43374352
2-(1,4-diazepan-1-yl)-N-(2,2-difluoroethyl)-2-oxoacetamide
CID 115408222
N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 55249454
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)-2-oxoacetamide
CID 107817508
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 103109036
N-(2-methylpropyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507132
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 103113071
2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
CID 79234327
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]azetidine-3-carboxamide
CID 103109047
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 55005313

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide (CID 103112906) is 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NC(=O)C(=O)N1CCCNCC1.
What is the InChIKey of 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is AVYUXDXJXOSLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-4-16(3)12(19)10(2)15-11(18)13(20)17-8-5-6-14-7-9-17/h10,14H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide?
2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 284.36 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,4-diazepan-1-yl)-2-oxoacetyl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103112906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).