N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide

C22H25NO4 — CID 91940787

IUPACN-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)N(CC=Cc1ccccc1)CCO)C2
InChIInChI=1S/C22H25NO4/c1-26-20-10-9-18-14-19(16-27-21(18)15-20)22(25)23(12-13-24)11-5-8-17-6-3-2-4-7-17/h2-10,15,19,24H,11-14,16H2,1H3
InChIKeyJVNPHMKBRJVTRA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.78
Rot. Bonds7

About N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 91940787) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID91940787
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)N(CC=Cc1ccccc1)CCO)C2
InChIInChI=1S/C22H25NO4/c1-26-20-10-9-18-14-19(16-27-21(18)15-20)22(25)23(12-13-24)11-5-8-17-6-3-2-4-7-17/h2-10,15,19,24H,11-14,16H2,1H3
InChIKeyJVNPHMKBRJVTRA-UHFFFAOYSA-N
XLogP2.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 91940787) is N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)N(CC=Cc1ccccc1)CCO)C2.
What is the InChIKey of N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JVNPHMKBRJVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-26-20-10-9-18-14-19(16-27-21(18)15-20)22(25)23(12-13-24)11-5-8-17-6-3-2-4-7-17/h2-10,15,19,24H,11-14,16H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 91940787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).