5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide

C19H28N2O3 — CID 172704089

IUPAC5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
SMILESCCCC(=O)c1cc(CC2CCCN2CC)c(OC)c(C(N)=O)c1
InChIInChI=1S/C19H28N2O3/c1-4-7-17(22)13-10-14(11-15-8-6-9-21(15)5-2)18(24-3)16(12-13)19(20)23/h10,12,15H,4-9,11H2,1-3H3,(H2,20,23)
InChIKeyDIRLPZCTFWDKPV-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.80
Rot. Bonds8

About 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide

5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide (PubChem CID 172704089) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
PubChem CID172704089
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
SMILESCCCC(=O)c1cc(CC2CCCN2CC)c(OC)c(C(N)=O)c1
InChIInChI=1S/C19H28N2O3/c1-4-7-17(22)13-10-14(11-15-8-6-9-21(15)5-2)18(24-3)16(12-13)19(20)23/h10,12,15H,4-9,11H2,1-3H3,(H2,20,23)
InChIKeyDIRLPZCTFWDKPV-UHFFFAOYSA-N
XLogP2.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide (CID 172704089) is 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide is CCCC(=O)c1cc(CC2CCCN2CC)c(OC)c(C(N)=O)c1.
What is the InChIKey of 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is DIRLPZCTFWDKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-7-17(22)13-10-14(11-15-8-6-9-21(15)5-2)18(24-3)16(12-13)19(20)23/h10,12,15H,4-9,11H2,1-3H3,(H2,20,23).
What are the key properties of 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide?
5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 332.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 172704089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).