2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide

C16H26N2O3 — CID 78946961

IUPAC2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cc(C)ccc1[C@H](C)N
InChIInChI=1S/C16H26N2O3/c1-11-6-7-14(12(2)17)15(10-11)21-13(3)16(19)18-8-5-9-20-4/h6-7,10,12-13H,5,8-9,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyULDYXGSPHSQJBW-UEWDXFNNSA-N
MW294.40 g/mol
LogP1.93
Rot. Bonds8

About 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide (PubChem CID 78946961) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
PubChem CID78946961
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cc(C)ccc1[C@H](C)N
InChIInChI=1S/C16H26N2O3/c1-11-6-7-14(12(2)17)15(10-11)21-13(3)16(19)18-8-5-9-20-4/h6-7,10,12-13H,5,8-9,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyULDYXGSPHSQJBW-UEWDXFNNSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 78946946
2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide
CID 102946475
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147
(2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100667207
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]propanoic acid
CID 78946999
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide (CID 78946961) is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1cc(C)ccc1[C@H](C)N.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide?
The InChIKey is ULDYXGSPHSQJBW-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-6-7-14(12(2)17)15(10-11)21-13(3)16(19)18-8-5-9-20-4/h6-7,10,12-13H,5,8-9,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide?
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 78946961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).