N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide

C19H17NO4 — CID 165351053

IUPACN-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide
SMILESCCC(=O)NC(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C19H17NO4/c1-2-15(21)20-17(12-8-4-3-5-9-12)16-18(22)13-10-6-7-11-14(13)24-19(16)23/h3-11,17,22H,2H2,1H3,(H,20,21)
InChIKeyAPPNWBGEDHBNMK-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.11
Rot. Bonds4

About N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide

N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide (PubChem CID 165351053) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide
PubChem CID165351053
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide
SMILESCCC(=O)NC(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C19H17NO4/c1-2-15(21)20-17(12-8-4-3-5-9-12)16-18(22)13-10-6-7-11-14(13)24-19(16)23/h3-11,17,22H,2H2,1H3,(H,20,21)
InChIKeyAPPNWBGEDHBNMK-UHFFFAOYSA-N
XLogP3.11
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide?
The IUPAC name of N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide (CID 165351053) is N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide.
What is the SMILES notation for N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide?
The canonical SMILES for N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide is CCC(=O)NC(c1ccccc1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide?
The InChIKey is APPNWBGEDHBNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-15(21)20-17(12-8-4-3-5-9-12)16-18(22)13-10-6-7-11-14(13)24-19(16)23/h3-11,17,22H,2H2,1H3,(H,20,21).
What are the key properties of N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide?
N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide has a molecular weight of 323.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]propanamide is sourced from PubChem (CID 165351053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).