N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide

C19H29N3O4 — CID 70730399

IUPACN-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
SMILESCOCCN(C)CC(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C19H29N3O4/c1-14(23)20-18-12-22(19(24)13-21(2)9-10-25-3)11-17(18)15-5-7-16(26-4)8-6-15/h5-8,17-18H,9-13H2,1-4H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyYSIUCEZMKMYCQV-ZWKOTPCHSA-N
MW363.46 g/mol
LogP0.70
Rot. Bonds8

About N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 70730399) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
PubChem CID70730399
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
SMILESCOCCN(C)CC(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C19H29N3O4/c1-14(23)20-18-12-22(19(24)13-21(2)9-10-25-3)11-17(18)15-5-7-16(26-4)8-6-15/h5-8,17-18H,9-13H2,1-4H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyYSIUCEZMKMYCQV-ZWKOTPCHSA-N
XLogP0.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide (CID 70730399) is N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide is COCCN(C)CC(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(OC)cc2)C1.
What is the InChIKey of N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is YSIUCEZMKMYCQV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-14(23)20-18-12-22(19(24)13-21(2)9-10-25-3)11-17(18)15-5-7-16(26-4)8-6-15/h5-8,17-18H,9-13H2,1-4H3,(H,20,23)/t17-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-[2-methoxyethyl(methyl)amino]acetyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70730399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).