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

C22H25NO4 — CID 72931982

IUPACN-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)N(C/C=C/c1ccccc1)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/b8-5+
InChIKeyJVNPHMKBRJVTRA-VMPITWQZSA-N
MW367.45 g/mol
LogP2.78
Rot. Bonds7

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

N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72931982) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72931982
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)N(C/C=C/c1ccccc1)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/b8-5+
InChIKeyJVNPHMKBRJVTRA-VMPITWQZSA-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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Related Compounds

N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 91940787
2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid
CID 125153337
methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
CID 94821763
(2R)-3-[[(3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 97324496
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823597
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823599
(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97113013
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
(3R)-N-cyclopropyl-7-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050922
(3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97146785

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72931982) is N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)N(C/C=C/c1ccccc1)CCO)C2.
What is the InChIKey of N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JVNPHMKBRJVTRA-VMPITWQZSA-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/b8-5+.
What are the key properties of N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-hydroxyethyl)-7-methoxy-N-[(E)-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-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72931982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).