2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide

C14H23N3O2 — CID 107173449

IUPAC2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccco1)C1CCCNCC1
InChIInChI=1S/C14H23N3O2/c1-17(12-4-2-7-15-8-6-12)11-14(18)16-10-13-5-3-9-19-13/h3,5,9,12,15H,2,4,6-8,10-11H2,1H3,(H,16,18)
InChIKeyRGPYYQSUHOEBBN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.97
Rot. Bonds5

About 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide

2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 107173449) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID107173449
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccco1)C1CCCNCC1
InChIInChI=1S/C14H23N3O2/c1-17(12-4-2-7-15-8-6-12)11-14(18)16-10-13-5-3-9-19-13/h3,5,9,12,15H,2,4,6-8,10-11H2,1H3,(H,16,18)
InChIKeyRGPYYQSUHOEBBN-UHFFFAOYSA-N
XLogP0.97
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 122567027
2-[azepan-4-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 104979446
N-(furan-2-ylmethyl)-N-methylazepan-4-amine
CID 63902730
2-[azepan-4-yl(methyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 104979568
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
N-(furan-2-ylmethyl)-2-[piperidin-3-ylmethyl(propyl)amino]acetamide
CID 106640892
3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
CID 82326863
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea
CID 23883035
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 107173449) is 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide is CN(CC(=O)NCc1ccco1)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RGPYYQSUHOEBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(12-4-2-7-15-8-6-12)11-14(18)16-10-13-5-3-9-19-13/h3,5,9,12,15H,2,4,6-8,10-11H2,1H3,(H,16,18).
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide?
2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 107173449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).