N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide

C23H29N3O3 — CID 40898083

IUPACN-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-29-20-11-9-18(10-12-20)21(26-15-5-6-16-26)17-25-22(27)13-14-24-23(28)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-17H2,1H3,(H,24,28)(H,25,27)/t21-/m1/s1
InChIKeyZDRBTMDWFIDSOF-OAQYLSRUSA-N
MW395.50 g/mol
LogP2.77
Rot. Bonds9

About N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide

N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide (PubChem CID 40898083) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
PubChem CID40898083
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-29-20-11-9-18(10-12-20)21(26-15-5-6-16-26)17-25-22(27)13-14-24-23(28)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-17H2,1H3,(H,24,28)(H,25,27)/t21-/m1/s1
InChIKeyZDRBTMDWFIDSOF-OAQYLSRUSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24544210
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18152062
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 112789908
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
4-bromo-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 24983116
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
3-(cyclohexylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 16620946

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide (CID 40898083) is N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide is COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is ZDRBTMDWFIDSOF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-20-11-9-18(10-12-20)21(26-15-5-6-16-26)17-25-22(27)13-14-24-23(28)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-17H2,1H3,(H,24,28)(H,25,27)/t21-/m1/s1.
What are the key properties of N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 40898083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).