2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C24H32N2O3 — CID 35129295

IUPAC2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C24H32N2O3/c1-3-4-17-29-23-10-6-5-9-21(23)24(27)25-18-22(26-15-7-8-16-26)19-11-13-20(28-2)14-12-19/h5-6,9-14,22H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyWBEURWKAHMHHKO-QFIPXVFZSA-N
MW396.53 g/mol
LogP4.44
Rot. Bonds10

About 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 35129295) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID35129295
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C24H32N2O3/c1-3-4-17-29-23-10-6-5-9-21(23)24(27)25-18-22(26-15-7-8-16-26)19-11-13-20(28-2)14-12-19/h5-6,9-14,22H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyWBEURWKAHMHHKO-QFIPXVFZSA-N
XLogP4.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35579281
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843608
2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35181744
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985319
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 35129295) is 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1.
What is the InChIKey of 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is WBEURWKAHMHHKO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-4-17-29-23-10-6-5-9-21(23)24(27)25-18-22(26-15-7-8-16-26)19-11-13-20(28-2)14-12-19/h5-6,9-14,22H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/t22-/m0/s1.
What are the key properties of 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 396.53 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 35129295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).