2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide

C16H26N2O3 — CID 63057775

IUPAC2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1c(CNCC(C)C)cccc1OC)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-5-13(16(17)19)21-15-12(10-18-9-11(2)3)7-6-8-14(15)20-4/h6-8,11,13,18H,5,9-10H2,1-4H3,(H2,17,19)
InChIKeyAZHBWPDRTPQMTD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.08
Rot. Bonds9

About 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide

2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide (PubChem CID 63057775) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide
PubChem CID63057775
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1c(CNCC(C)C)cccc1OC)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-5-13(16(17)19)21-15-12(10-18-9-11(2)3)7-6-8-14(15)20-4/h6-8,11,13,18H,5,9-10H2,1-4H3,(H2,17,19)
InChIKeyAZHBWPDRTPQMTD-UHFFFAOYSA-N
XLogP2.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057352
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 112610531
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol
CID 63056436
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063899
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The IUPAC name of 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide (CID 63057775) is 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide.
What is the SMILES notation for 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The canonical SMILES for 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide is CCC(Oc1c(CNCC(C)C)cccc1OC)C(N)=O.
What is the InChIKey of 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide?
The InChIKey is AZHBWPDRTPQMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-13(16(17)19)21-15-12(10-18-9-11(2)3)7-6-8-14(15)20-4/h6-8,11,13,18H,5,9-10H2,1-4H3,(H2,17,19).
What are the key properties of 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide?
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide has a molecular weight of 294.40 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide is sourced from PubChem (CID 63057775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).