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

C25H35NO3 — CID 4256218

IUPACN-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide
SMILESCOc1ccc(CN(CCC(c2ccc(OC(C)C)cc2)C(C)C)C(C)=O)cc1
InChIInChI=1S/C25H35NO3/c1-18(2)25(22-9-13-24(14-10-22)29-19(3)4)15-16-26(20(5)27)17-21-7-11-23(28-6)12-8-21/h7-14,18-19,25H,15-17H2,1-6H3
InChIKeyQMBGNVYXGLACJE-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.66
Rot. Bonds10

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

N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide (PubChem CID 4256218) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide
PubChem CID4256218
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide
SMILESCOc1ccc(CN(CCC(c2ccc(OC(C)C)cc2)C(C)C)C(C)=O)cc1
InChIInChI=1S/C25H35NO3/c1-18(2)25(22-9-13-24(14-10-22)29-19(3)4)15-16-26(20(5)27)17-21-7-11-23(28-6)12-8-21/h7-14,18-19,25H,15-17H2,1-6H3
InChIKeyQMBGNVYXGLACJE-UHFFFAOYSA-N
XLogP5.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 3708634
N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 4610480
N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
CID 2956858
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
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-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390
N-(furan-2-ylmethyl)-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]propanamide
CID 3487759
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-2-aminopropanoic acid
CID 163638856
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]acetamide
CID 1147460
4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
CID 115235805
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide (CID 4256218) is N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide is COc1ccc(CN(CCC(c2ccc(OC(C)C)cc2)C(C)C)C(C)=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide?
The InChIKey is QMBGNVYXGLACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-18(2)25(22-9-13-24(14-10-22)29-19(3)4)15-16-26(20(5)27)17-21-7-11-23(28-6)12-8-21/h7-14,18-19,25H,15-17H2,1-6H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide?
N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide has a molecular weight of 397.56 g/mol, XLogP of 5.66, 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-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide is sourced from PubChem (CID 4256218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).