2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide

C16H26N2O2 — CID 115591499

IUPAC2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCCOc1ccccc1CNC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-20-15-9-7-6-8-14(15)11-17-13(4)16(19)18-10-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyKGKYTADCVTYNGF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds8

About 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide

2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 115591499) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
PubChem CID115591499
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCCOc1ccccc1CNC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-20-15-9-7-6-8-14(15)11-17-13(4)16(19)18-10-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyKGKYTADCVTYNGF-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 112690620
2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115591500
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide
CID 43221810
2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 43674958
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)propanamide
CID 103604200
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 54950309
4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110613303
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide (CID 115591499) is 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide is CCOc1ccccc1CNC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is KGKYTADCVTYNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-20-15-9-7-6-8-14(15)11-17-13(4)16(19)18-10-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide?
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 115591499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).