N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide

C28H33NO3 — CID 3708634

IUPACN-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C28H33NO3/c1-21(2)32-27-16-12-25(13-17-27)28(24-8-6-5-7-9-24)18-19-29(22(3)30)20-23-10-14-26(31-4)15-11-23/h5-17,21,28H,18-20H2,1-4H3
InChIKeyNSUAISKJGHSCEF-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.05
Rot. Bonds10

About N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide

N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide (PubChem CID 3708634) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
PubChem CID3708634
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C28H33NO3/c1-21(2)32-27-16-12-25(13-17-27)28(24-8-6-5-7-9-24)18-19-29(22(3)30)20-23-10-14-26(31-4)15-11-23/h5-17,21,28H,18-20H2,1-4H3
InChIKeyNSUAISKJGHSCEF-UHFFFAOYSA-N
XLogP6.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 4610480
N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide
CID 4256218
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390
N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
CID 2956858
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-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 40877913
3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
CID 42696184
N-benzyl-N-[(3S)-3-[(2R,4R)-2-ethyl-2-methyloxan-4-yl]-3-(4-methoxyphenyl)propyl]acetamide
CID 98367717
N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 3841014
N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 176828269

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide (CID 3708634) is N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide is COc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The InChIKey is NSUAISKJGHSCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-21(2)32-27-16-12-25(13-17-27)28(24-8-6-5-7-9-24)18-19-29(22(3)30)20-23-10-14-26(31-4)15-11-23/h5-17,21,28H,18-20H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide?
N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide has a molecular weight of 431.58 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide is sourced from PubChem (CID 3708634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).