2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide

C17H26N2O3 — CID 71998406

IUPAC2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
SMILESCc1ccccc1OC(C)CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-12-8-6-7-9-14(12)22-13(2)10-18-15(20)11-19-16(21)17(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyGZBTYHBMVVIKRZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.04
Rot. Bonds6

About 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide (PubChem CID 71998406) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
PubChem CID71998406
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
SMILESCc1ccccc1OC(C)CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-12-8-6-7-9-14(12)22-13(2)10-18-15(20)11-19-16(21)17(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyGZBTYHBMVVIKRZ-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
2-[[N'-methyl-N-[2-(2-methylphenoxy)propyl]carbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111686397
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43416331
1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508543
N-ethyl-2-[[ethylamino-[2-(2-methylphenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111686449
tert-butyl N-[2-[[N'-methyl-N-[2-(2-methylphenoxy)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111687133
2-(2-methylphenoxy)propylhydrazine
CID 82280822

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide (CID 71998406) is 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide is Cc1ccccc1OC(C)CNC(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide?
The InChIKey is GZBTYHBMVVIKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-8-6-7-9-14(12)22-13(2)10-18-15(20)11-19-16(21)17(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 71998406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).