N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride

C23H31ClN2O3 — CID 52984933

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
SMILESCCCOc1ccccc1C(=O)NCC(c1ccc(OC)cc1)N1CCCC1.Cl
InChIInChI=1S/C23H30N2O3.ClH/c1-3-16-28-22-9-5-4-8-20(22)23(26)24-17-21(25-14-6-7-15-25)18-10-12-19(27-2)13-11-18;/h4-5,8-13,21H,3,6-7,14-17H2,1-2H3,(H,24,26);1H
InChIKeyNDLZXSRGFZFNEF-UHFFFAOYSA-N
MW418.97 g/mol
LogP4.47
Rot. Bonds9

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride (PubChem CID 52984933) has the molecular formula C23H31ClN2O3 and a molecular weight of 418.97 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
PubChem CID52984933
Molecular FormulaC23H31ClN2O3
Molecular Weight418.97 g/mol
Exact Mass418.20
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
SMILESCCCOc1ccccc1C(=O)NCC(c1ccc(OC)cc1)N1CCCC1.Cl
InChIInChI=1S/C23H30N2O3.ClH/c1-3-16-28-22-9-5-4-8-20(22)23(26)24-17-21(25-14-6-7-15-25)18-10-12-19(27-2)13-11-18;/h4-5,8-13,21H,3,6-7,14-17H2,1-2H3,(H,24,26);1H
InChIKeyNDLZXSRGFZFNEF-UHFFFAOYSA-N
XLogP4.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35579281
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985319
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
CID 35042114
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843608

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride (CID 52984933) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride is CCCOc1ccccc1C(=O)NCC(c1ccc(OC)cc1)N1CCCC1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride?
The InChIKey is NDLZXSRGFZFNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3.ClH/c1-3-16-28-22-9-5-4-8-20(22)23(26)24-17-21(25-14-6-7-15-25)18-10-12-19(27-2)13-11-18;/h4-5,8-13,21H,3,6-7,14-17H2,1-2H3,(H,24,26);1H.
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride has a molecular weight of 418.97 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride is sourced from PubChem (CID 52984933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).