N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide

C25H34N2O2 — CID 35574265

IUPACN-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-5-29-22-14-10-20(11-15-22)24(28)26-18-23(27-16-6-7-17-27)19-8-12-21(13-9-19)25(2,3)4/h8-15,23H,5-7,16-18H2,1-4H3,(H,26,28)/t23-/m1/s1
InChIKeyVRXFLXHVSZNXJV-HSZRJFAPSA-N
MW394.56 g/mol
LogP4.95
Rot. Bonds7

About N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide

N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide (PubChem CID 35574265) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
PubChem CID35574265
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-5-29-22-14-10-20(11-15-22)24(28)26-18-23(27-16-6-7-17-27)19-8-12-21(13-9-19)25(2,3)4/h8-15,23H,5-7,16-18H2,1-4H3,(H,26,28)/t23-/m1/s1
InChIKeyVRXFLXHVSZNXJV-HSZRJFAPSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 7496411
4-ethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931313
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112503867
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308
2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35579021
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 35579383
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide;hydrochloride
CID 52984636
3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
CID 112503903
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide?
The IUPAC name of N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide (CID 35574265) is N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide?
The InChIKey is VRXFLXHVSZNXJV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-5-29-22-14-10-20(11-15-22)24(28)26-18-23(27-16-6-7-17-27)19-8-12-21(13-9-19)25(2,3)4/h8-15,23H,5-7,16-18H2,1-4H3,(H,26,28)/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide?
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide has a molecular weight of 394.56 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide is sourced from PubChem (CID 35574265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).