2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

C14H29N3O2 — CID 62837072

IUPAC2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)CN1CCCNCC1
InChIInChI=1S/C14H29N3O2/c1-13(2)11-17(9-10-19-3)14(18)12-16-7-4-5-15-6-8-16/h13,15H,4-12H2,1-3H3
InChIKeyUXYGDJFWPIPXBN-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.41
Rot. Bonds7

About 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (PubChem CID 62837072) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
PubChem CID62837072
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)CN1CCCNCC1
InChIInChI=1S/C14H29N3O2/c1-13(2)11-17(9-10-19-3)14(18)12-16-7-4-5-15-6-8-16/h13,15H,4-12H2,1-3H3
InChIKeyUXYGDJFWPIPXBN-UHFFFAOYSA-N
XLogP0.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-2-piperazin-1-ylacetamide
CID 54944353
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 62837257
2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid
CID 79271874
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 62837792
2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 79327783
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide
CID 62837604
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
2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62832566
2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate
CID 62823958
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62838345

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (CID 62837072) is 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide is COCCN(CC(C)C)C(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The InChIKey is UXYGDJFWPIPXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2)11-17(9-10-19-3)14(18)12-16-7-4-5-15-6-8-16/h13,15H,4-12H2,1-3H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide has a molecular weight of 271.40 g/mol, XLogP of 0.41, 7 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-methoxyethyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 62837072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).