N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide

C23H28N2O4 — CID 46977380

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)cc1N1CCOCC1
InChIInChI=1S/C23H28N2O4/c1-23(2)15-18(17-6-4-5-7-20(17)29-23)24-22(26)16-8-9-21(27-3)19(14-16)25-10-12-28-13-11-25/h4-9,14,18H,10-13,15H2,1-3H3,(H,24,26)
InChIKeyZMPOBHRHHHIBFC-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.56
Rot. Bonds4

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide (PubChem CID 46977380) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide
PubChem CID46977380
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)cc1N1CCOCC1
InChIInChI=1S/C23H28N2O4/c1-23(2)15-18(17-6-4-5-7-20(17)29-23)24-22(26)16-8-9-21(27-3)19(14-16)25-10-12-28-13-11-25/h4-9,14,18H,10-13,15H2,1-3H3,(H,24,26)
InChIKeyZMPOBHRHHHIBFC-UHFFFAOYSA-N
XLogP3.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide
CID 133166366
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 97277367
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99589244
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(methanesulfonamido)-3-methylbenzamide
CID 132658758
2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide
CID 131931836
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 132658756

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide (CID 46977380) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide is COc1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)cc1N1CCOCC1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide?
The InChIKey is ZMPOBHRHHHIBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(2)15-18(17-6-4-5-7-20(17)29-23)24-22(26)16-8-9-21(27-3)19(14-16)25-10-12-28-13-11-25/h4-9,14,18H,10-13,15H2,1-3H3,(H,24,26).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 46977380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).