N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C30H37NO4 — CID 25426230

IUPACN-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCCC(=O)N(CC[C@H](c1ccc(OC)cc1)c1ccccc1OC)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C30H37NO4/c1-6-30(32)31(21-23-11-15-26(16-12-23)35-22(2)3)20-19-27(24-13-17-25(33-4)18-14-24)28-9-7-8-10-29(28)34-5/h7-18,22,27H,6,19-21H2,1-5H3/t27-/m1/s1
InChIKeyJAJUTBJSAOYVLZ-HHHXNRCGSA-N
MW475.63 g/mol
LogP6.45
Rot. Bonds12

About N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 25426230) has the molecular formula C30H37NO4 and a molecular weight of 475.63 g/mol. Its IUPAC name is N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID25426230
Molecular FormulaC30H37NO4
Molecular Weight475.63 g/mol
Exact Mass475.27
IUPAC NameN-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCCC(=O)N(CC[C@H](c1ccc(OC)cc1)c1ccccc1OC)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C30H37NO4/c1-6-30(32)31(21-23-11-15-26(16-12-23)35-22(2)3)20-19-27(24-13-17-25(33-4)18-14-24)28-9-7-8-10-29(28)34-5/h7-18,22,27H,6,19-21H2,1-5H3/t27-/m1/s1
InChIKeyJAJUTBJSAOYVLZ-HHHXNRCGSA-N
XLogP6.45
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 40877913
N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 3708634
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 2920636
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 1071993
N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 176828269
N-benzyl-3-(2-methoxyphenyl)-N-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 176828267
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide
CID 2920302
N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 4610480
N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 3841014
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 1427599
N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390
N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide
CID 4256218

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 25426230) is N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is CCC(=O)N(CC[C@H](c1ccc(OC)cc1)c1ccccc1OC)Cc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is JAJUTBJSAOYVLZ-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H37NO4/c1-6-30(32)31(21-23-11-15-26(16-12-23)35-22(2)3)20-19-27(24-13-17-25(33-4)18-14-24)28-9-7-8-10-29(28)34-5/h7-18,22,27H,6,19-21H2,1-5H3/t27-/m1/s1.
What are the key properties of N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 475.63 g/mol, XLogP of 6.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 25426230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).