2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide

C17H26N2O3 — CID 31666859

IUPAC2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
SMILESCc1cccc(OCCN(C)C(=O)CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-13-7-6-8-14(11-13)22-10-9-19(5)15(20)12-18-16(21)17(2,3)4/h6-8,11H,9-10,12H2,1-5H3,(H,18,21)
InChIKeyPMXTYYVKRXKUPC-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.99
Rot. Bonds6

About 2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide (PubChem CID 31666859) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
PubChem CID31666859
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
SMILESCc1cccc(OCCN(C)C(=O)CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-13-7-6-8-14(11-13)22-10-9-19(5)15(20)12-18-16(21)17(2,3)4/h6-8,11H,9-10,12H2,1-5H3,(H,18,21)
InChIKeyPMXTYYVKRXKUPC-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26980079
(3-methylphenyl) 2-(2,2-dimethylpropanoylamino)acetate
CID 110670400
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31665805
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55431376

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide (CID 31666859) is 2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide is Cc1cccc(OCCN(C)C(=O)CNC(=O)C(C)(C)C)c1.
What is the InChIKey of 2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is PMXTYYVKRXKUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-7-6-8-14(11-13)22-10-9-19(5)15(20)12-18-16(21)17(2,3)4/h6-8,11H,9-10,12H2,1-5H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 1.99, 6 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-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 31666859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).