N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide

C16H26N2O2 — CID 112503325

IUPACN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
SMILESCCCC(=O)NCC(c1ccco1)N1CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-8-16(19)17-13-14(15-9-7-12-20-15)18-10-5-3-4-6-11-18/h7,9,12,14H,2-6,8,10-11,13H2,1H3,(H,17,19)
InChIKeyNKFMJYYQDMKHNJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide (PubChem CID 112503325) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
PubChem CID112503325
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
SMILESCCCC(=O)NCC(c1ccco1)N1CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-8-16(19)17-13-14(15-9-7-12-20-15)18-10-5-3-4-6-11-18/h7,9,12,14H,2-6,8,10-11,13H2,1H3,(H,17,19)
InChIKeyNKFMJYYQDMKHNJ-UHFFFAOYSA-N
XLogP3.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
3-cyclopentylsulfonyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
CID 51953240
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430213
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522317
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8700451

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide (CID 112503325) is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide is CCCC(=O)NCC(c1ccco1)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide?
The InChIKey is NKFMJYYQDMKHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-8-16(19)17-13-14(15-9-7-12-20-15)18-10-5-3-4-6-11-18/h7,9,12,14H,2-6,8,10-11,13H2,1H3,(H,17,19).
What are the key properties of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide?
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide is sourced from PubChem (CID 112503325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).