8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C22H26N2O4 — CID 131936486

IUPAC8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1ccccc1CN1CCOCC1)C2
InChIInChI=1S/C22H26N2O4/c1-26-20-8-4-6-16-13-18(15-28-21(16)20)22(25)23-19-7-3-2-5-17(19)14-24-9-11-27-12-10-24/h2-8,18H,9-15H2,1H3,(H,23,25)
InChIKeyBNNNUMDWLLVIGL-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.72
Rot. Bonds5

About 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 131936486) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID131936486
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1ccccc1CN1CCOCC1)C2
InChIInChI=1S/C22H26N2O4/c1-26-20-8-4-6-16-13-18(15-28-21(16)20)22(25)23-19-7-3-2-5-17(19)14-24-9-11-27-12-10-24/h2-8,18H,9-15H2,1H3,(H,23,25)
InChIKeyBNNNUMDWLLVIGL-UHFFFAOYSA-N
XLogP2.72
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55900330
(3S)-8-methoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97136197
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 70718890
8-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46958337
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131915701
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 118770631
(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97194876
N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 156586272
(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97117554

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 131936486) is 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)Nc1ccccc1CN1CCOCC1)C2.
What is the InChIKey of 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BNNNUMDWLLVIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-20-8-4-6-16-13-18(15-28-21(16)20)22(25)23-19-7-3-2-5-17(19)14-24-9-11-27-12-10-24/h2-8,18H,9-15H2,1H3,(H,23,25).
What are the key properties of 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 131936486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).