N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide

C30H36N2O4 — CID 67673124

IUPACN-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide
SMILESCOc1ccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C(C)(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C30H36N2O4/c1-30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29(34)31(2)27(21-32-18-17-24(33)20-32)26-16-15-25(35-3)19-28(26)36-4/h5-16,19,24,27,33H,17-18,20-21H2,1-4H3/t24-,27+/m0/s1
InChIKeyNEDFWYNBGGKZIJ-RPLLCQBOSA-N
MW488.63 g/mol
LogP4.28
Rot. Bonds9

About N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide

N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide (PubChem CID 67673124) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide
PubChem CID67673124
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC NameN-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide
SMILESCOc1ccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C(C)(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C30H36N2O4/c1-30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29(34)31(2)27(21-32-18-17-24(33)20-32)26-16-15-25(35-3)19-28(26)36-4/h5-16,19,24,27,33H,17-18,20-21H2,1-4H3/t24-,27+/m0/s1
InChIKeyNEDFWYNBGGKZIJ-RPLLCQBOSA-N
XLogP4.28
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-bis(4-fluorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 67673442
2,2-bis(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide
CID 67675051
N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,6-dioxo-3H-purine-9-carboxamide
CID 142638759
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
CID 57026316
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 11304930
2-acetyl-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 139630397
azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
CID 19746392
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(N-methylanilino)acetamide
CID 21074159
N-[(1S)-1-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-bis(4-fluorophenyl)-N-methylacetamide
CID 67672903
2,2-bis(4-chlorophenyl)-N-[(1S)-1-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
CID 67674197
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-[4-(trifluoromethyl)anilino]acetamide
CID 21074150
N-[(1S)-1-(4-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 67674391

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide (CID 67673124) is N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide is COc1ccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C(C)(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide?
The InChIKey is NEDFWYNBGGKZIJ-RPLLCQBOSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29(34)31(2)27(21-32-18-17-24(33)20-32)26-16-15-25(35-3)19-28(26)36-4/h5-16,19,24,27,33H,17-18,20-21H2,1-4H3/t24-,27+/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide?
N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide has a molecular weight of 488.63 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide is sourced from PubChem (CID 67673124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).