N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide

C22H26N2O3 — CID 97123888

IUPACN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccccc1N1CCCC1)C2
InChIInChI=1S/C22H26N2O3/c1-26-18-9-8-17-12-16(15-27-21(17)13-18)14-23-22(25)19-6-2-3-7-20(19)24-10-4-5-11-24/h2-3,6-9,13,16H,4-5,10-12,14-15H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyDRCYEFHXGVUXPI-MRXNPFEDSA-N
MW366.46 g/mol
LogP3.28
Rot. Bonds5

About N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 97123888) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID97123888
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccccc1N1CCCC1)C2
InChIInChI=1S/C22H26N2O3/c1-26-18-9-8-17-12-16(15-27-21(17)13-18)14-23-22(25)19-6-2-3-7-20(19)24-10-4-5-11-24/h2-3,6-9,13,16H,4-5,10-12,14-15H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyDRCYEFHXGVUXPI-MRXNPFEDSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide (CID 97123888) is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide is COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccccc1N1CCCC1)C2.
What is the InChIKey of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is DRCYEFHXGVUXPI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-18-9-8-17-12-16(15-27-21(17)13-18)14-23-22(25)19-6-2-3-7-20(19)24-10-4-5-11-24/h2-3,6-9,13,16H,4-5,10-12,14-15H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide?
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 97123888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).