N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

C30H43N3O2 — CID 93324073

IUPACN-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1cccc([C@@H]2CN(Cc3cccc(C)c3)C[C@@H]2CN(CCN2CCCC2)C(=O)C(C)C)c1
InChIInChI=1S/C30H43N3O2/c1-23(2)30(34)33(16-15-31-13-5-6-14-31)21-27-20-32(19-25-10-7-9-24(3)17-25)22-29(27)26-11-8-12-28(18-26)35-4/h7-12,17-18,23,27,29H,5-6,13-16,19-22H2,1-4H3/t27-,29+/m1/s1
InChIKeyJCLLBVSDIJPBIW-PXJZQJOASA-N
MW477.69 g/mol
LogP4.80
Rot. Bonds10

About N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 93324073) has the molecular formula C30H43N3O2 and a molecular weight of 477.69 g/mol. Its IUPAC name is N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound NameN-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID93324073
Molecular FormulaC30H43N3O2
Molecular Weight477.69 g/mol
Exact Mass477.34
IUPAC NameN-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1cccc([C@@H]2CN(Cc3cccc(C)c3)C[C@@H]2CN(CCN2CCCC2)C(=O)C(C)C)c1
InChIInChI=1S/C30H43N3O2/c1-23(2)30(34)33(16-15-31-13-5-6-14-31)21-27-20-32(19-25-10-7-9-24(3)17-25)22-29(27)26-11-8-12-28(18-26)35-4/h7-12,17-18,23,27,29H,5-6,13-16,19-22H2,1-4H3/t27-,29+/m1/s1
InChIKeyJCLLBVSDIJPBIW-PXJZQJOASA-N
XLogP4.80
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.69
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46071718
N-[[(3R,4S)-4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 93000892
N-[[(3R,4R)-4-(3-methoxyphenyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 98636231
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42869979
N-[[(3R,4R)-1-[(3-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 100897552
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42847919
N-[[1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-methylpropanamide
CID 42870372
N-[[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446757
N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870361
N-[[1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42869969
N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870371
N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870360

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 93324073) is N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide is COc1cccc([C@@H]2CN(Cc3cccc(C)c3)C[C@@H]2CN(CCN2CCCC2)C(=O)C(C)C)c1.
What is the InChIKey of N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is JCLLBVSDIJPBIW-PXJZQJOASA-N. The full InChI is InChI=1S/C30H43N3O2/c1-23(2)30(34)33(16-15-31-13-5-6-14-31)21-27-20-32(19-25-10-7-9-24(3)17-25)22-29(27)26-11-8-12-28(18-26)35-4/h7-12,17-18,23,27,29H,5-6,13-16,19-22H2,1-4H3/t27-,29+/m1/s1.
What are the key properties of N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 477.69 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 93324073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).