(2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide

C15H20N2O3 — CID 97335405

IUPAC(2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide
SMILESCC[C@H](C(=O)N[C@@H]1COc2ccccc2C1=O)N(C)C
InChIInChI=1S/C15H20N2O3/c1-4-12(17(2)3)15(19)16-11-9-20-13-8-6-5-7-10(13)14(11)18/h5-8,11-12H,4,9H2,1-3H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyWCDHIUBGJPGMGO-VXGBXAGGSA-N
MW276.34 g/mol
LogP1.09
Rot. Bonds4

About (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide

(2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide (PubChem CID 97335405) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide
PubChem CID97335405
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide
SMILESCC[C@H](C(=O)N[C@@H]1COc2ccccc2C1=O)N(C)C
InChIInChI=1S/C15H20N2O3/c1-4-12(17(2)3)15(19)16-11-9-20-13-8-6-5-7-10(13)14(11)18/h5-8,11-12H,4,9H2,1-3H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyWCDHIUBGJPGMGO-VXGBXAGGSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide (CID 97335405) is (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide is CC[C@H](C(=O)N[C@@H]1COc2ccccc2C1=O)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide?
The InChIKey is WCDHIUBGJPGMGO-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-12(17(2)3)15(19)16-11-9-20-13-8-6-5-7-10(13)14(11)18/h5-8,11-12H,4,9H2,1-3H3,(H,16,19)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide?
(2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide has a molecular weight of 276.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[(3R)-4-oxo-2,3-dihydrochromen-3-yl]butanamide is sourced from PubChem (CID 97335405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).