N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide

C25H30N2O4 — CID 97237972

IUPACN-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccccc1CC(=O)N1CC[C@H](N(C(=O)Cc2ccccc2OC)C2CC2)C1
InChIInChI=1S/C25H30N2O4/c1-30-22-9-5-3-7-18(22)15-24(28)26-14-13-21(17-26)27(20-11-12-20)25(29)16-19-8-4-6-10-23(19)31-2/h3-10,20-21H,11-17H2,1-2H3/t21-/m0/s1
InChIKeyCXWHZDUKGIKWQX-NRFANRHFSA-N
MW422.53 g/mol
LogP3.08
Rot. Bonds8

About N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide

N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide (PubChem CID 97237972) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide
PubChem CID97237972
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccccc1CC(=O)N1CC[C@H](N(C(=O)Cc2ccccc2OC)C2CC2)C1
InChIInChI=1S/C25H30N2O4/c1-30-22-9-5-3-7-18(22)15-24(28)26-14-13-21(17-26)27(20-11-12-20)25(29)16-19-8-4-6-10-23(19)31-2/h3-10,20-21H,11-17H2,1-2H3/t21-/m0/s1
InChIKeyCXWHZDUKGIKWQX-NRFANRHFSA-N
XLogP3.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 154878066
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086218
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 154788161
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95978642
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide (CID 97237972) is N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide is COc1ccccc1CC(=O)N1CC[C@H](N(C(=O)Cc2ccccc2OC)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is CXWHZDUKGIKWQX-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-30-22-9-5-3-7-18(22)15-24(28)26-14-13-21(17-26)27(20-11-12-20)25(29)16-19-8-4-6-10-23(19)31-2/h3-10,20-21H,11-17H2,1-2H3/t21-/m0/s1.
What are the key properties of N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide?
N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97237972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).