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

C14H28N4O2 — CID 62838345

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)CN1CCCNCC1
InChIInChI=1S/C14H28N4O2/c1-4-8-18(12-13(19)16(2)3)14(20)11-17-9-5-6-15-7-10-17/h15H,4-12H2,1-3H3
InChIKeyGKRIRIBIZYZSHI-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.39
Rot. Bonds6

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

2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide (PubChem CID 62838345) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
PubChem CID62838345
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)CN1CCCNCC1
InChIInChI=1S/C14H28N4O2/c1-4-8-18(12-13(19)16(2)3)14(20)11-17-9-5-6-15-7-10-17/h15H,4-12H2,1-3H3
InChIKeyGKRIRIBIZYZSHI-UHFFFAOYSA-N
XLogP-0.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 62838165
2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119905981
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-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
CID 62837819
N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-4-yl-N-propylacetamide
CID 54916167
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
2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62832566
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide (CID 62838345) is 2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)N(C)C)C(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
The InChIKey is GKRIRIBIZYZSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-8-18(12-13(19)16(2)3)14(20)11-17-9-5-6-15-7-10-17/h15H,4-12H2,1-3H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide has a molecular weight of 284.40 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 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-(dimethylamino)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 62838345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).