(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide

C16H22N2O4 — CID 164633014

IUPAC(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@]2(C)CCCCC(=O)N2)c1
InChIInChI=1S/C16H22N2O4/c1-16(9-5-4-6-14(19)18-16)15(20)17-12-10-11(21-2)7-8-13(12)22-3/h7-8,10H,4-6,9H2,1-3H3,(H,17,20)(H,18,19)/t16-/m0/s1
InChIKeyDYCDNXQTDFEABS-INIZCTEOSA-N
MW306.36 g/mol
LogP2.09
Rot. Bonds4

About (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide

(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide (PubChem CID 164633014) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide
PubChem CID164633014
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@]2(C)CCCCC(=O)N2)c1
InChIInChI=1S/C16H22N2O4/c1-16(9-5-4-6-14(19)18-16)15(20)17-12-10-11(21-2)7-8-13(12)22-3/h7-8,10H,4-6,9H2,1-3H3,(H,17,20)(H,18,19)/t16-/m0/s1
InChIKeyDYCDNXQTDFEABS-INIZCTEOSA-N
XLogP2.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(2,5-dimethoxyphenyl)-7-oxoazepane-2-carboxamide
CID 91919465
N-[2-methoxy-5-[3-(trifluoromethyl)phenoxy]phenyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 170650433
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622579
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980885
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979497
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981334
N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide
CID 13059822
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981643
1-N-(3-acetamidophenyl)-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983285

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide?
The IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide (CID 164633014) is (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide is COc1ccc(OC)c(NC(=O)[C@]2(C)CCCCC(=O)N2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide?
The InChIKey is DYCDNXQTDFEABS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(9-5-4-6-14(19)18-16)15(20)17-12-10-11(21-2)7-8-13(12)22-3/h7-8,10H,4-6,9H2,1-3H3,(H,17,20)(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide?
(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 164633014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).