N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide

C29H33N3O3 — CID 112789908

IUPACN-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C29H33N3O3/c1-35-25-16-14-23(15-17-25)27(32-18-8-9-19-32)21-30-28(33)20-26(22-10-4-2-5-11-22)31-29(34)24-12-6-3-7-13-24/h2-7,10-17,26-27H,8-9,18-21H2,1H3,(H,30,33)(H,31,34)
InChIKeyUYGYWYAMJFXHEP-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.51
Rot. Bonds10

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

N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 112789908) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID112789908
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C29H33N3O3/c1-35-25-16-14-23(15-17-25)27(32-18-8-9-19-32)21-30-28(33)20-26(22-10-4-2-5-11-22)31-29(34)24-12-6-3-7-13-24/h2-7,10-17,26-27H,8-9,18-21H2,1H3,(H,30,33)(H,31,34)
InChIKeyUYGYWYAMJFXHEP-UHFFFAOYSA-N
XLogP4.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
2-(2-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 86976076
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 112789908) is N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide is COc1ccc(C(CNC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is UYGYWYAMJFXHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-35-25-16-14-23(15-17-25)27(32-18-8-9-19-32)21-30-28(33)20-26(22-10-4-2-5-11-22)31-29(34)24-12-6-3-7-13-24/h2-7,10-17,26-27H,8-9,18-21H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 471.60 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 112789908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).