N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

C23H30N2O4 — CID 90619835

IUPACN-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCCN2c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-27-20-13-11-17(22(28-2)23(20)29-3)12-14-21(26)24-16-19-10-7-15-25(19)18-8-5-4-6-9-18/h4-6,8-9,11,13,19H,7,10,12,14-16H2,1-3H3,(H,24,26)
InChIKeyIMIFYAPFUGOOPY-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.43
Rot. Bonds9

About N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 90619835) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID90619835
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCCN2c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-27-20-13-11-17(22(28-2)23(20)29-3)12-14-21(26)24-16-19-10-7-15-25(19)18-8-5-4-6-9-18/h4-6,8-9,11,13,19H,7,10,12,14-16H2,1-3H3,(H,24,26)
InChIKeyIMIFYAPFUGOOPY-UHFFFAOYSA-N
XLogP3.43
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883088
3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883089
2-(2-methoxyphenoxy)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883057
3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
CID 72719282
(E)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 99903531
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-(2,4-dimethoxyphenyl)propanamide
CID 90618991
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619793

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 90619835) is N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC2CCCN2c2ccccc2)c(OC)c1OC.
What is the InChIKey of N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is IMIFYAPFUGOOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-27-20-13-11-17(22(28-2)23(20)29-3)12-14-21(26)24-16-19-10-7-15-25(19)18-8-5-4-6-9-18/h4-6,8-9,11,13,19H,7,10,12,14-16H2,1-3H3,(H,24,26).
What are the key properties of N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 398.50 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 90619835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).