N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide

C16H18N2O3 — CID 94024287

IUPACN-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide
SMILESO=C(N[C@@H]1CCCCNC1=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H18N2O3/c19-15(18-13-6-3-4-8-17-16(13)20)12-9-11-5-1-2-7-14(11)21-10-12/h1-2,5,7,9,13H,3-4,6,8,10H2,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyNOBSXXLUQGNIEP-CYBMUJFWSA-N
MW286.33 g/mol
LogP1.25
Rot. Bonds2

About N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide

N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide (PubChem CID 94024287) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide
PubChem CID94024287
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide
SMILESO=C(N[C@@H]1CCCCNC1=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H18N2O3/c19-15(18-13-6-3-4-8-17-16(13)20)12-9-11-5-1-2-7-14(11)21-10-12/h1-2,5,7,9,13H,3-4,6,8,10H2,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyNOBSXXLUQGNIEP-CYBMUJFWSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide (CID 94024287) is N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide is O=C(N[C@@H]1CCCCNC1=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide?
The InChIKey is NOBSXXLUQGNIEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(18-13-6-3-4-8-17-16(13)20)12-9-11-5-1-2-7-14(11)21-10-12/h1-2,5,7,9,13H,3-4,6,8,10H2,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide?
N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 94024287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).