(2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H19N3O3 — CID 124607890

IUPAC(2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H19N3O3/c23-18(17-11-13-5-1-2-8-16(13)25-17)21-14-6-3-7-15(12-14)22-10-4-9-20-19(22)24/h1-3,5-8,12,17H,4,9-11H2,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyAPDFXADMSITCRA-KRWDZBQOSA-N
MW337.38 g/mol
LogP2.55
Rot. Bonds3

About (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 124607890) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID124607890
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H19N3O3/c23-18(17-11-13-5-1-2-8-16(13)25-17)21-14-6-3-7-15(12-14)22-10-4-9-20-19(22)24/h1-3,5-8,12,17H,4,9-11H2,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyAPDFXADMSITCRA-KRWDZBQOSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
(2S)-N-(3-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083240
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide
CID 120787794
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114307272
2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 120795442
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120787793
3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809541
(2R)-2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 124607892
1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 119809530
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
(2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94801265

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 124607890) is (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is APDFXADMSITCRA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(17-11-13-5-1-2-8-16(13)25-17)21-14-6-3-7-15(12-14)22-10-4-9-20-19(22)24/h1-3,5-8,12,17H,4,9-11H2,(H,20,24)(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 124607890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).