N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide

C14H20N2O4 — CID 116637783

IUPACN-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide
SMILESO=C(CN1CCCCCC1CO)NC(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c17-10-11-5-2-1-3-7-16(11)9-13(18)15-14(19)12-6-4-8-20-12/h4,6,8,11,17H,1-3,5,7,9-10H2,(H,15,18,19)
InChIKeyKDVVBMKKUQEYAL-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.77
Rot. Bonds4

About N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide

N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide (PubChem CID 116637783) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide
PubChem CID116637783
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide
SMILESO=C(CN1CCCCCC1CO)NC(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c17-10-11-5-2-1-3-7-16(11)9-13(18)15-14(19)12-6-4-8-20-12/h4,6,8,11,17H,1-3,5,7,9-10H2,(H,15,18,19)
InChIKeyKDVVBMKKUQEYAL-UHFFFAOYSA-N
XLogP0.77
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
CID 116637743
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-2-phenylacetamide
CID 60684561
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]benzamide
CID 60684983
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-2-phenylacetamide
CID 66260986
N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide
CID 102681654
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62015911
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
2-[2-(hydroxymethyl)piperidin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 110898937
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide (CID 116637783) is N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide is O=C(CN1CCCCCC1CO)NC(=O)c1ccco1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide?
The InChIKey is KDVVBMKKUQEYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-10-11-5-2-1-3-7-16(11)9-13(18)15-14(19)12-6-4-8-20-12/h4,6,8,11,17H,1-3,5,7,9-10H2,(H,15,18,19).
What are the key properties of N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide?
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide is sourced from PubChem (CID 116637783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).