4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide

C17H29N3O3 — CID 59222872

IUPAC4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide
SMILESCCNC(=O)CCCOc1ccc(CN(C)CCN)c(OC)c1
InChIInChI=1S/C17H29N3O3/c1-4-19-17(21)6-5-11-23-15-8-7-14(16(12-15)22-3)13-20(2)10-9-18/h7-8,12H,4-6,9-11,13,18H2,1-3H3,(H,19,21)
InChIKeyBTFYPPYLJZDAKU-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.38
Rot. Bonds11

About 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide

4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide (PubChem CID 59222872) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide.

Molecular Properties

Compound Name4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide
PubChem CID59222872
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide
SMILESCCNC(=O)CCCOc1ccc(CN(C)CCN)c(OC)c1
InChIInChI=1S/C17H29N3O3/c1-4-19-17(21)6-5-11-23-15-8-7-14(16(12-15)22-3)13-20(2)10-9-18/h7-8,12H,4-6,9-11,13,18H2,1-3H3,(H,19,21)
InChIKeyBTFYPPYLJZDAKU-UHFFFAOYSA-N
XLogP1.38
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-[3-[2-[[4-[4-(ethylamino)-4-oxobutoxy]-2-methoxyphenyl]methyl-methylamino]ethylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate
CID 59622768
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-(2,2-dimethylpropyl)-4-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
CID 118552944
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448
N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide
CID 59122301
3-[2-[[ethyl(methyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-methylphenyl)methyl]propanamide
CID 161466164
3-[4-[3-(dimethylamino)propoxy]-2-methoxyphenyl]propyl 3-oxobutanoate
CID 174647024
methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 55103553

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide?
The IUPAC name of 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide (CID 59222872) is 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide.
What is the SMILES notation for 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide?
The canonical SMILES for 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide is CCNC(=O)CCCOc1ccc(CN(C)CCN)c(OC)c1.
What is the InChIKey of 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide?
The InChIKey is BTFYPPYLJZDAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-4-19-17(21)6-5-11-23-15-8-7-14(16(12-15)22-3)13-20(2)10-9-18/h7-8,12H,4-6,9-11,13,18H2,1-3H3,(H,19,21).
What are the key properties of 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide?
4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide has a molecular weight of 323.44 g/mol, XLogP of 1.38, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-aminoethyl(methyl)amino]methyl]-3-methoxyphenoxy]-N-ethylbutanamide is sourced from PubChem (CID 59222872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).