N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide

C21H27N3O3 — CID 124853733

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CN2CCCCC[C@@H]2c2ccco2)cc1
InChIInChI=1S/C21H27N3O3/c1-16(25)23(2)18-11-9-17(10-12-18)22-21(26)15-24-13-5-3-4-7-19(24)20-8-6-14-27-20/h6,8-12,14,19H,3-5,7,13,15H2,1-2H3,(H,22,26)/t19-/m1/s1
InChIKeyWCFPJNBHMUAPOP-LJQANCHMSA-N
MW369.47 g/mol
LogP3.82
Rot. Bonds5

About N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide (PubChem CID 124853733) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide
PubChem CID124853733
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CN2CCCCC[C@@H]2c2ccco2)cc1
InChIInChI=1S/C21H27N3O3/c1-16(25)23(2)18-11-9-17(10-12-18)22-21(26)15-24-13-5-3-4-7-19(24)20-8-6-14-27-20/h6,8-12,14,19H,3-5,7,13,15H2,1-2H3,(H,22,26)/t19-/m1/s1
InChIKeyWCFPJNBHMUAPOP-LJQANCHMSA-N
XLogP3.82
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(2S)-2-(furan-2-yl)azepan-1-yl]ethanone
CID 124762588
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
(2R)-2-(furan-2-yl)-1-(2-methylpropyl)piperidine
CID 124500855
(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2905131
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
(1S)-2-[[4-[acetyl(methyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738320
cis-(1R,2S)-2-[[4-[acetyl(methyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 675757
2-(2-acetylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 63844823

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide (CID 124853733) is N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide is CC(=O)N(C)c1ccc(NC(=O)CN2CCCCC[C@@H]2c2ccco2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide?
The InChIKey is WCFPJNBHMUAPOP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16(25)23(2)18-11-9-17(10-12-18)22-21(26)15-24-13-5-3-4-7-19(24)20-8-6-14-27-20/h6,8-12,14,19H,3-5,7,13,15H2,1-2H3,(H,22,26)/t19-/m1/s1.
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetamide is sourced from PubChem (CID 124853733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).