N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide

C21H26N2O3 — CID 43887296

IUPACN-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-5-18(26-17-12-7-6-8-13-17)20(25)22-16-11-9-10-15(14-16)19(24)23-21(2,3)4/h6-14,18H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyNMTXMVCUMXFVGL-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.01
Rot. Bonds6

About N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide

N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide (PubChem CID 43887296) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
PubChem CID43887296
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-5-18(26-17-12-7-6-8-13-17)20(25)22-16-11-9-10-15(14-16)19(24)23-21(2,3)4/h6-14,18H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyNMTXMVCUMXFVGL-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
CID 43877933
3-[2-(3-methylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877810
N-(furan-2-ylmethyl)-3-(2-phenoxybutanoylamino)benzamide
CID 17199974
[3-(2-phenoxybutanoylamino)phenyl] acetate
CID 17341786
N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43887303
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
CID 132652172

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide?
The IUPAC name of N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide (CID 43887296) is N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide?
The canonical SMILES for N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide is CCC(Oc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide?
The InChIKey is NMTXMVCUMXFVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-18(26-17-12-7-6-8-13-17)20(25)22-16-11-9-10-15(14-16)19(24)23-21(2,3)4/h6-14,18H,5H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide?
N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide is sourced from PubChem (CID 43887296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).