2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide

Name: 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₈N₂O₃S — CID 113067937

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

IUPAC2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide

SMILESCC(C)(C)C(=O)NCCN(CCCc1ccccc1)S(C)(=O)=O

InChIInChI=1S/C17H28N2O3S/c1-17(2,3)16(20)18-12-14-19(23(4,21)22)13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3,(H,18,20)

InChIKeyWCQJBGHFSIUMIP-UHFFFAOYSA-N

MW340.49 g/mol

LogP2.04

Rot. Bonds8

About 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide (PubChem CID 113067937) has the molecular formula C₁₇H₂₈N₂O₃S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name	2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
PubChem CID	113067937
Molecular Formula	C₁₇H₂₈N₂O₃S
Molecular Weight	340.49 g/mol
Exact Mass	340.18
IUPAC Name	2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
SMILES	CC(C)(C)C(=O)NCCN(CCCc1ccccc1)S(C)(=O)=O
InChI	InChI=1S/C17H28N2O3S/c1-17(2,3)16(20)18-12-14-19(23(4,21)22)13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3,(H,18,20)
InChIKey	WCQJBGHFSIUMIP-UHFFFAOYSA-N
XLogP	2.04
TPSA	66.48 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.49
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide (CID 113067937) is 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide is CC(C)(C)C(=O)NCCN(CCCc1ccccc1)S(C)(=O)=O.

What is the InChIKey of 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide?

The InChIKey is WCQJBGHFSIUMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-17(2,3)16(20)18-12-14-19(23(4,21)22)13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3,(H,18,20).

What are the key properties of 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide?

2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide is sourced from PubChem (CID 113067937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 113067937 — identifiers, structure, computed properties (public domain)

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