2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide

C12H19N3O2 — CID 43162513

IUPAC2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCc1ccco1
InChIInChI=1S/C12H19N3O2/c16-12(14-9-11-3-1-8-17-11)10-15-6-2-4-13-5-7-15/h1,3,8,13H,2,4-7,9-10H2,(H,14,16)
InChIKeyLPYAASKZQMUZFV-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.19
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 43162513) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID43162513
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCc1ccco1
InChIInChI=1S/C12H19N3O2/c16-12(14-9-11-3-1-8-17-11)10-15-6-2-4-13-5-7-15/h1,3,8,13H,2,4-7,9-10H2,(H,14,16)
InChIKeyLPYAASKZQMUZFV-UHFFFAOYSA-N
XLogP0.19
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43348702
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63257535
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
N-[3-(furan-2-ylmethoxy)propyl]-2-piperazin-1-ylacetamide
CID 61275324
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 43162513) is 2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCCNCC1)NCc1ccco1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LPYAASKZQMUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(14-9-11-3-1-8-17-11)10-15-6-2-4-13-5-7-15/h1,3,8,13H,2,4-7,9-10H2,(H,14,16).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.19, 4 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 43162513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).