3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide

C19H22N2O4 — CID 95120272

IUPAC3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cc(COc2ccccc2)oc1C(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C19H22N2O4/c1-13-11-15(12-24-14-7-3-2-4-8-14)25-17(13)19(23)21-16-9-5-6-10-20-18(16)22/h2-4,7-8,11,16H,5-6,9-10,12H2,1H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeySBOKXFNZNYBSDR-MRXNPFEDSA-N
MW342.40 g/mol
LogP2.57
Rot. Bonds5

About 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide

3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 95120272) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID95120272
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cc(COc2ccccc2)oc1C(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C19H22N2O4/c1-13-11-15(12-24-14-7-3-2-4-8-14)25-17(13)19(23)21-16-9-5-6-10-20-18(16)22/h2-4,7-8,11,16H,5-6,9-10,12H2,1H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeySBOKXFNZNYBSDR-MRXNPFEDSA-N
XLogP2.57
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide
CID 51114950
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 91774436
6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide
CID 95122255
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
3-methyl-5-[[(2-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103248585
3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 137210287
2-[(4-fluorophenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-oxazole-4-carboxamide
CID 42216036
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxopiperidin-3-yl)benzamide
CID 47086063
2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide
CID 4553699
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
4-methyl-2-nitro-N-(2-oxoazepan-3-yl)-3-phenylmethoxybenzamide
CID 564127
(2-oxoazepan-3-yl)carbamic acid
CID 18612606

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide (CID 95120272) is 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide is Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H]1CCCCNC1=O.
What is the InChIKey of 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is SBOKXFNZNYBSDR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-11-15(12-24-14-7-3-2-4-8-14)25-17(13)19(23)21-16-9-5-6-10-20-18(16)22/h2-4,7-8,11,16H,5-6,9-10,12H2,1H3,(H,20,22)(H,21,23)/t16-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide?
3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 95120272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).