2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide

C13H26N4O2 — CID 62838165

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)NC)C(=O)CN1CCCNCC1
InChIInChI=1S/C13H26N4O2/c1-3-7-17(10-12(18)14-2)13(19)11-16-8-4-5-15-6-9-16/h15H,3-11H2,1-2H3,(H,14,18)
InChIKeyCSDFJUYGHUCBSP-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.73
Rot. Bonds6

About 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide

2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide (PubChem CID 62838165) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
PubChem CID62838165
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)NC)C(=O)CN1CCCNCC1
InChIInChI=1S/C13H26N4O2/c1-3-7-17(10-12(18)14-2)13(19)11-16-8-4-5-15-6-9-16/h15H,3-11H2,1-2H3,(H,14,18)
InChIKeyCSDFJUYGHUCBSP-UHFFFAOYSA-N
XLogP-0.73
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62838345
2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119905981
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperazin-1-ylacetamide
CID 43348706
N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide
CID 54985265
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348
N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 107398558
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 62839862
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide (CID 62838165) is 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)NC)C(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide?
The InChIKey is CSDFJUYGHUCBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-7-17(10-12(18)14-2)13(19)11-16-8-4-5-15-6-9-16/h15H,3-11H2,1-2H3,(H,14,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide?
2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide has a molecular weight of 270.38 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 62838165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).