2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide

C17H28N2O2 — CID 43674958

IUPAC2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide
SMILESCCOc1ccccc1CNC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C17H28N2O2/c1-6-21-16-10-8-7-9-14(16)12-18-15(11-13(2)3)17(20)19(4)5/h7-10,13,15,18H,6,11-12H2,1-5H3
InChIKeyCFEUIZYOIPOYEW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.68
Rot. Bonds8

About 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide

2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide (PubChem CID 43674958) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide
PubChem CID43674958
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide
SMILESCCOc1ccccc1CNC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C17H28N2O2/c1-6-21-16-10-8-7-9-14(16)12-18-15(11-13(2)3)17(20)19(4)5/h7-10,13,15,18H,6,11-12H2,1-5H3
InChIKeyCFEUIZYOIPOYEW-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
4-methyl-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528381
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
methyl 4-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]pentanoate
CID 43688899
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
2-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66528396
N,N-dimethyl-2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43778094
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
(2R)-2-[(2-ethoxyphenyl)methylamino]-2-phenylacetamide
CID 95582076

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide (CID 43674958) is 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide is CCOc1ccccc1CNC(CC(C)C)C(=O)N(C)C.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide?
The InChIKey is CFEUIZYOIPOYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-21-16-10-8-7-9-14(16)12-18-15(11-13(2)3)17(20)19(4)5/h7-10,13,15,18H,6,11-12H2,1-5H3.
What are the key properties of 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide?
2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 43674958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).