N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide

Name: N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₆N₂O₄ — CID 18118508

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide

SMILESCOc1cccc(CCC(=O)NCC(=O)NC(C)(C)C)c1OC

InChIInChI=1S/C17H26N2O4/c1-17(2,3)19-15(21)11-18-14(20)10-9-12-7-6-8-13(22-4)16(12)23-5/h6-8H,9-11H2,1-5H3,(H,18,20)(H,19,21)

InChIKeyPJCZLMOUSGNFSB-UHFFFAOYSA-N

MW322.41 g/mol

LogP1.67

Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide (PubChem CID 18118508) has the molecular formula C₁₇H₂₆N₂O₄ and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name	N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
PubChem CID	18118508
Molecular Formula	C₁₇H₂₆N₂O₄
Molecular Weight	322.41 g/mol
Exact Mass	322.19
IUPAC Name	N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
SMILES	COc1cccc(CCC(=O)NCC(=O)NC(C)(C)C)c1OC
InChI	InChI=1S/C17H26N2O4/c1-17(2,3)19-15(21)11-18-14(20)10-9-12-7-6-8-13(22-4)16(12)23-5/h6-8H,9-11H2,1-5H3,(H,18,20)(H,19,21)
InChIKey	PJCZLMOUSGNFSB-UHFFFAOYSA-N
XLogP	1.67
TPSA	76.66 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.41
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide?

The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide (CID 18118508) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide.

What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide?

The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide is COc1cccc(CCC(=O)NCC(=O)NC(C)(C)C)c1OC.

What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide?

The InChIKey is PJCZLMOUSGNFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)19-15(21)11-18-14(20)10-9-12-7-6-8-13(22-4)16(12)23-5/h6-8H,9-11H2,1-5H3,(H,18,20)(H,19,21).

What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide?

N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide is sourced from PubChem (CID 18118508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 18118508 — identifiers, structure, computed properties (public domain)

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