N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide

C26H29NO2 — CID 2956858

IUPACN-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
SMILESCOc1ccc(C(CCN(Cc2ccccc2)C(C)=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-21(28)27(20-23-11-7-4-8-12-23)18-17-25(19-22-9-5-3-6-10-22)24-13-15-26(29-2)16-14-24/h3-16,25H,17-20H2,1-2H3
InChIKeyMOYXATQMBACQMN-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.46
Rot. Bonds9

About N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide

N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide (PubChem CID 2956858) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
PubChem CID2956858
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC NameN-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
SMILESCOc1ccc(C(CCN(Cc2ccccc2)C(C)=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-21(28)27(20-23-11-7-4-8-12-23)18-17-25(19-22-9-5-3-6-10-22)24-13-15-26(29-2)16-14-24/h3-16,25H,17-20H2,1-2H3
InChIKeyMOYXATQMBACQMN-UHFFFAOYSA-N
XLogP5.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-N-[(3R)-3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
CID 1427005
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-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]acetamide
CID 3149170
N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide
CID 4256218
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-[(3S)-3-[(2R,4R)-2-ethyl-2-methyloxan-4-yl]-3-(4-methoxyphenyl)propyl]acetamide
CID 98367717
N-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 2922076
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784499
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-2-aminopropanoic acid
CID 163638856
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide?
The IUPAC name of N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide (CID 2956858) is N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide.
What is the SMILES notation for N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide?
The canonical SMILES for N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide is COc1ccc(C(CCN(Cc2ccccc2)C(C)=O)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide?
The InChIKey is MOYXATQMBACQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-21(28)27(20-23-11-7-4-8-12-23)18-17-25(19-22-9-5-3-6-10-22)24-13-15-26(29-2)16-14-24/h3-16,25H,17-20H2,1-2H3.
What are the key properties of N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide?
N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide has a molecular weight of 387.52 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]acetamide is sourced from PubChem (CID 2956858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).