2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide

C16H26N2O3 — CID 43174613

IUPAC2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide
SMILESCCOc1cccc(CN)c1OC(C)C(=O)NC(C)CC
InChIInChI=1S/C16H26N2O3/c1-5-11(3)18-16(19)12(4)21-15-13(10-17)8-7-9-14(15)20-6-2/h7-9,11-12H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyAAHPKFYQVOUWTO-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.23
Rot. Bonds8

About 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide

2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide (PubChem CID 43174613) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide
PubChem CID43174613
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide
SMILESCCOc1cccc(CN)c1OC(C)C(=O)NC(C)CC
InChIInChI=1S/C16H26N2O3/c1-5-11(3)18-16(19)12(4)21-15-13(10-17)8-7-9-14(15)20-6-2/h7-9,11-12H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyAAHPKFYQVOUWTO-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
CID 43366644
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-methylpropanamide
CID 54930374
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-cyclopropylpropanamide
CID 60905806
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid
CID 83037756
2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
CID 43381867
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61392424
3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 107873513
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide (CID 43174613) is 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide is CCOc1cccc(CN)c1OC(C)C(=O)NC(C)CC.
What is the InChIKey of 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide?
The InChIKey is AAHPKFYQVOUWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-11(3)18-16(19)12(4)21-15-13(10-17)8-7-9-14(15)20-6-2/h7-9,11-12H,5-6,10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide?
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide is sourced from PubChem (CID 43174613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).