N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide

C16H26N2O — CID 43574139

IUPACN-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
SMILESCCNC(=O)C(C)NC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H26N2O/c1-7-17-16(19)14(6)18-13(5)15-9-11(3)10(2)8-12(15)4/h8-9,13-14,18H,7H2,1-6H3,(H,17,19)
InChIKeyIRVXIKQPSYGOMJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds5

About N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide

N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide (PubChem CID 43574139) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
PubChem CID43574139
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
SMILESCCNC(=O)C(C)NC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H26N2O/c1-7-17-16(19)14(6)18-13(5)15-9-11(3)10(2)8-12(15)4/h8-9,13-14,18H,7H2,1-6H3,(H,17,19)
InChIKeyIRVXIKQPSYGOMJ-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43684764
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
CID 43574263
2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
CID 81301009
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
CID 43684840
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide
CID 65192271
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide
CID 106344280
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
CID 43781292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide?
The IUPAC name of N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide (CID 43574139) is N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide?
The canonical SMILES for N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide is CCNC(=O)C(C)NC(C)c1cc(C)c(C)cc1C.
What is the InChIKey of N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide?
The InChIKey is IRVXIKQPSYGOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-7-17-16(19)14(6)18-13(5)15-9-11(3)10(2)8-12(15)4/h8-9,13-14,18H,7H2,1-6H3,(H,17,19).
What are the key properties of N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide?
N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide is sourced from PubChem (CID 43574139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).