5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide

C19H30N4O3 — CID 3124991

IUPAC5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC
InChIInChI=1S/C19H30N4O3/c1-6-23-9-7-8-14(23)12-20-19(25)15-10-16(21-13(2)24)17(22(3)4)11-18(15)26-5/h10-11,14H,6-9,12H2,1-5H3,(H,20,25)(H,21,24)
InChIKeyPKIIOZAICIYOSN-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.93
Rot. Bonds7

About 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide

5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide (PubChem CID 3124991) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
PubChem CID3124991
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC
InChIInChI=1S/C19H30N4O3/c1-6-23-9-7-8-14(23)12-20-19(25)15-10-16(21-13(2)24)17(22(3)4)11-18(15)26-5/h10-11,14H,6-9,12H2,1-5H3,(H,20,25)(H,21,24)
InChIKeyPKIIOZAICIYOSN-UHFFFAOYSA-N
XLogP1.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide (CID 3124991) is 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide is CCN1CCCC1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC.
What is the InChIKey of 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is PKIIOZAICIYOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-6-23-9-7-8-14(23)12-20-19(25)15-10-16(21-13(2)24)17(22(3)4)11-18(15)26-5/h10-11,14H,6-9,12H2,1-5H3,(H,20,25)(H,21,24).
What are the key properties of 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide?
5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 362.47 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 3124991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).