[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C23H26N2O4 — CID 42681054

IUPAC[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1C1CN(C(=O)c2ccccc2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C23H26N2O4/c1-28-21-10-6-5-9-18(21)19-15-25(22(26)17-7-3-2-4-8-17)16-20(19)23(27)24-11-13-29-14-12-24/h2-10,19-20H,11-16H2,1H3
InChIKeyNAAQSDVFBFYWEE-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.41
Rot. Bonds4

About [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 42681054) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID42681054
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1C1CN(C(=O)c2ccccc2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C23H26N2O4/c1-28-21-10-6-5-9-18(21)19-15-25(22(26)17-7-3-2-4-8-17)16-20(19)23(27)24-11-13-29-14-12-24/h2-10,19-20H,11-16H2,1H3
InChIKeyNAAQSDVFBFYWEE-UHFFFAOYSA-N
XLogP2.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 42681054) is [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is COc1ccccc1C1CN(C(=O)c2ccccc2)CC1C(=O)N1CCOCC1.
What is the InChIKey of [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NAAQSDVFBFYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-28-21-10-6-5-9-18(21)19-15-25(22(26)17-7-3-2-4-8-17)16-20(19)23(27)24-11-13-29-14-12-24/h2-10,19-20H,11-16H2,1H3.
What are the key properties of [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 394.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42681054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).