N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide

C24H30N2O3 — CID 94013924

IUPACN-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2)15-21(20-11-10-19(28-3)14-22(20)29-24)25-23(27)18-8-6-17(7-9-18)16-26-12-4-5-13-26/h6-11,14,21H,4-5,12-13,15-16H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyDGXZLKMSUGFJIR-OAQYLSRUSA-N
MW394.52 g/mol
LogP4.32
Rot. Bonds5

About N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide

N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 94013924) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID94013924
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2)15-21(20-11-10-19(28-3)14-22(20)29-24)25-23(27)18-8-6-17(7-9-18)16-26-12-4-5-13-26/h6-11,14,21H,4-5,12-13,15-16H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyDGXZLKMSUGFJIR-OAQYLSRUSA-N
XLogP4.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylmethyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 94013930
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
1-[(2-chlorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013914
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 94023381
1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013920
1-[(2-fluorophenyl)methyl]-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013919
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
3-(2,6-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100603694
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide
CID 91789923
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766308
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 50949936

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 94013924) is N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide is COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is DGXZLKMSUGFJIR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2)15-21(20-11-10-19(28-3)14-22(20)29-24)25-23(27)18-8-6-17(7-9-18)16-26-12-4-5-13-26/h6-11,14,21H,4-5,12-13,15-16H2,1-3H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 94013924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).