1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide

C19H27N3O5 — CID 120945991

IUPAC1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)NCC2CNCC2O)c(OC)c1
InChIInChI=1S/C19H27N3O5/c1-26-13-5-6-14(17(8-13)27-2)19(25)22-7-3-4-15(22)18(24)21-10-12-9-20-11-16(12)23/h5-6,8,12,15-16,20,23H,3-4,7,9-11H2,1-2H3,(H,21,24)
InChIKeyOWTQSZHEXMORDN-UHFFFAOYSA-N
MW377.44 g/mol
LogP0.00
Rot. Bonds6

About 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide

1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 120945991) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID120945991
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)NCC2CNCC2O)c(OC)c1
InChIInChI=1S/C19H27N3O5/c1-26-13-5-6-14(17(8-13)27-2)19(25)22-7-3-4-15(22)18(24)21-10-12-9-20-11-16(12)23/h5-6,8,12,15-16,20,23H,3-4,7,9-11H2,1-2H3,(H,21,24)
InChIKeyOWTQSZHEXMORDN-UHFFFAOYSA-N
XLogP0.00
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide (CID 120945991) is 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide is COc1ccc(C(=O)N2CCCC2C(=O)NCC2CNCC2O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is OWTQSZHEXMORDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-26-13-5-6-14(17(8-13)27-2)19(25)22-7-3-4-15(22)18(24)21-10-12-9-20-11-16(12)23/h5-6,8,12,15-16,20,23H,3-4,7,9-11H2,1-2H3,(H,21,24).
What are the key properties of 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide?
1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120945991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).