N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide

C22H27N3O3 — CID 34937128

IUPACN-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C22H27N3O3/c1-28-20-12-6-5-11-18(20)19(25-13-7-8-14-25)15-23-21(26)16-24-22(27)17-9-3-2-4-10-17/h2-6,9-12,19H,7-8,13-16H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyIVVNEDPDMSZERU-LJQANCHMSA-N
MW381.48 g/mol
LogP2.38
Rot. Bonds8

About N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide

N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 34937128) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID34937128
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C22H27N3O3/c1-28-20-12-6-5-11-18(20)19(25-13-7-8-14-25)15-23-21(26)16-24-22(27)17-9-3-2-4-10-17/h2-6,9-12,19H,7-8,13-16H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyIVVNEDPDMSZERU-LJQANCHMSA-N
XLogP2.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 51966942
2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
CID 119849351
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054
2-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 51926822

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 34937128) is N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is IVVNEDPDMSZERU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-12-6-5-11-18(20)19(25-13-7-8-14-25)15-23-21(26)16-24-22(27)17-9-3-2-4-10-17/h2-6,9-12,19H,7-8,13-16H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 34937128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).