6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C24H30N2O4 — CID 112821697

IUPAC6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NCC(c1cccc(C)c1)N1CCOCC1)CO2
InChIInChI=1S/C24H30N2O4/c1-17-4-3-5-18(12-17)22(26-8-10-29-11-9-26)15-25-24(27)20-13-19-14-21(28-2)6-7-23(19)30-16-20/h3-7,12,14,20,22H,8-11,13,15-16H2,1-2H3,(H,25,27)
InChIKeySCJYHRXFVAELIK-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.74
Rot. Bonds6

About 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 112821697) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID112821697
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NCC(c1cccc(C)c1)N1CCOCC1)CO2
InChIInChI=1S/C24H30N2O4/c1-17-4-3-5-18(12-17)22(26-8-10-29-11-9-26)15-25-24(27)20-13-19-14-21(28-2)6-7-23(19)30-16-20/h3-7,12,14,20,22H,8-11,13,15-16H2,1-2H3,(H,25,27)
InChIKeySCJYHRXFVAELIK-UHFFFAOYSA-N
XLogP2.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 30529658
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119849719
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
(3R)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 37288434
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053344
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111183268
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578255

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 112821697) is 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)NCC(c1cccc(C)c1)N1CCOCC1)CO2.
What is the InChIKey of 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SCJYHRXFVAELIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17-4-3-5-18(12-17)22(26-8-10-29-11-9-26)15-25-24(27)20-13-19-14-21(28-2)6-7-23(19)30-16-20/h3-7,12,14,20,22H,8-11,13,15-16H2,1-2H3,(H,25,27).
What are the key properties of 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 112821697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).