N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

C17H21NO3 — CID 42910502

IUPACN-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)NC1CCCCCC1
InChIInChI=1S/C17H21NO3/c19-16(18-12-7-3-1-2-4-8-12)11-15-13-9-5-6-10-14(13)17(20)21-15/h5-6,9-10,12,15H,1-4,7-8,11H2,(H,18,19)
InChIKeyLFWZZFPUPQMXLN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.13
Rot. Bonds3

About N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (PubChem CID 42910502) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
PubChem CID42910502
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)NC1CCCCCC1
InChIInChI=1S/C17H21NO3/c19-16(18-12-7-3-1-2-4-8-12)11-15-13-9-5-6-10-14(13)17(20)21-15/h5-6,9-10,12,15H,1-4,7-8,11H2,(H,18,19)
InChIKeyLFWZZFPUPQMXLN-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 4791695
N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 7986718
N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 42917506
1-[[[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 166225036
2-(3-oxo-1H-2-benzofuran-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 42891278
3-(cyclooctylamino)-3H-2-benzofuran-1-one
CID 18876437
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38854413
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
N-cyclohexyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829766
9H-fluoren-9-ylmethyl N-[2-(cycloheptylamino)-2-oxoethyl]carbamate
CID 170794400
(3R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2477905
N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26735813

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (CID 42910502) is N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is O=C(CC1OC(=O)c2ccccc21)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The InChIKey is LFWZZFPUPQMXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(18-12-7-3-1-2-4-8-12)11-15-13-9-5-6-10-14(13)17(20)21-15/h5-6,9-10,12,15H,1-4,7-8,11H2,(H,18,19).
What are the key properties of N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is sourced from PubChem (CID 42910502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).