N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C21H27N3O3 — CID 125159047

IUPACN-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(C)Cc1cccnc1
InChIInChI=1S/C21H27N3O3/c1-21(2)11-18(17-8-7-16(26-4)10-19(17)27-21)23-20(25)14-24(3)13-15-6-5-9-22-12-15/h5-10,12,18H,11,13-14H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyCGQAZACPYSSOLO-GOSISDBHSA-N
MW369.47 g/mol
LogP2.94
Rot. Bonds6

About N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 125159047) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID125159047
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(C)Cc1cccnc1
InChIInChI=1S/C21H27N3O3/c1-21(2)11-18(17-8-7-16(26-4)10-19(17)27-21)23-20(25)14-24(3)13-15-6-5-9-22-12-15/h5-10,12,18H,11,13-14H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyCGQAZACPYSSOLO-GOSISDBHSA-N
XLogP2.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 125159047) is N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(C)Cc1cccnc1.
What is the InChIKey of N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is CGQAZACPYSSOLO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-21(2)11-18(17-8-7-16(26-4)10-19(17)27-21)23-20(25)14-24(3)13-15-6-5-9-22-12-15/h5-10,12,18H,11,13-14H2,1-4H3,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 125159047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).