2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide

C15H24N2O3 — CID 62899630

IUPAC2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1ccc(OC)cc1CNC(C)C)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-5-13(15(16)18)20-14-7-6-12(19-4)8-11(14)9-17-10(2)3/h6-8,10,13,17H,5,9H2,1-4H3,(H2,16,18)
InChIKeyYNYYEVBERXGGMQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds8

About 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide

2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide (PubChem CID 62899630) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
PubChem CID62899630
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1ccc(OC)cc1CNC(C)C)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-5-13(15(16)18)20-14-7-6-12(19-4)8-11(14)9-17-10(2)3/h6-8,10,13,17H,5,9H2,1-4H3,(H2,16,18)
InChIKeyYNYYEVBERXGGMQ-UHFFFAOYSA-N
XLogP1.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83034354
2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
CID 62901536
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391
2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 82000489
2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]butanoic acid
CID 64668928
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83037173
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 114319688
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057352

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide?
The IUPAC name of 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide (CID 62899630) is 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide.
What is the SMILES notation for 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide?
The canonical SMILES for 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide is CCC(Oc1ccc(OC)cc1CNC(C)C)C(N)=O.
What is the InChIKey of 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide?
The InChIKey is YNYYEVBERXGGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-13(15(16)18)20-14-7-6-12(19-4)8-11(14)9-17-10(2)3/h6-8,10,13,17H,5,9H2,1-4H3,(H2,16,18).
What are the key properties of 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide?
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide is sourced from PubChem (CID 62899630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).