N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide

C15H23NO2 — CID 60676012

IUPACN,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCN(C)C(=O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-12-7-6-8-13(11-12)18-10-9-16(5)14(17)15(2,3)4/h6-8,11H,9-10H2,1-5H3
InChIKeyTVXGMADYIYVSHV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.88
Rot. Bonds4

About N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide

N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide (PubChem CID 60676012) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
PubChem CID60676012
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCN(C)C(=O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO2/c1-12-7-6-8-13(11-12)18-10-9-16(5)14(17)15(2,3)4/h6-8,11H,9-10H2,1-5H3
InChIKeyTVXGMADYIYVSHV-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695698
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
CID 31666859
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
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
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
CID 79269116
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide (CID 60676012) is N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide is Cc1cccc(OCCN(C)C(=O)C(C)(C)C)c1.
What is the InChIKey of N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
The InChIKey is TVXGMADYIYVSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-7-6-8-13(11-12)18-10-9-16(5)14(17)15(2,3)4/h6-8,11H,9-10H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 60676012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).