2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide

C15H31N3O2 — CID 62837792

IUPAC2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)CN1CCCNCC1
InChIInChI=1S/C15H31N3O2/c1-4-14(5-2)18(11-12-20-3)15(19)13-17-9-6-7-16-8-10-17/h14,16H,4-13H2,1-3H3
InChIKeyQHVQZSQZOFTXIL-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.95
Rot. Bonds8

About 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide

2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide (PubChem CID 62837792) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
PubChem CID62837792
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)CN1CCCNCC1
InChIInChI=1S/C15H31N3O2/c1-4-14(5-2)18(11-12-20-3)15(19)13-17-9-6-7-16-8-10-17/h14,16H,4-13H2,1-3H3
InChIKeyQHVQZSQZOFTXIL-UHFFFAOYSA-N
XLogP0.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62837072
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-piperazin-1-ylacetamide
CID 54944353
2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate
CID 62823958
2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid
CID 79271874
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
CID 43269882
2-(1,4-diazepan-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62839218
2-(1,4-diazepan-1-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62832566
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 62839862
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 62837257

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide (CID 62837792) is 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCOC)C(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
The InChIKey is QHVQZSQZOFTXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-14(5-2)18(11-12-20-3)15(19)13-17-9-6-7-16-8-10-17/h14,16H,4-13H2,1-3H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide has a molecular weight of 285.43 g/mol, XLogP of 0.95, 8 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-pentan-3-ylacetamide is sourced from PubChem (CID 62837792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).