butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate

C15H23NO3 — CID 81373195

IUPACbutyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate
SMILESCCCCOC(=O)CN[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-4-5-9-19-15(17)11-16-12(2)13-7-6-8-14(10-13)18-3/h6-8,10,12,16H,4-5,9,11H2,1-3H3/t12-/m1/s1
InChIKeyCUIPNMRMAUKSDO-GFCCVEGCSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds8

About butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate

butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate (PubChem CID 81373195) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate.

Molecular Properties

Compound Namebutyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate
PubChem CID81373195
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namebutyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate
SMILESCCCCOC(=O)CN[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-4-5-9-19-15(17)11-16-12(2)13-7-6-8-14(10-13)18-3/h6-8,10,12,16H,4-5,9,11H2,1-3H3/t12-/m1/s1
InChIKeyCUIPNMRMAUKSDO-GFCCVEGCSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[1-(3-fluorophenyl)ethylamino]acetate
CID 60680451
N-butan-2-yl-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373552
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210619
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81373699
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81354994
ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
CID 103258076
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
2-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 81373833
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate?
The IUPAC name of butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate (CID 81373195) is butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate.
What is the SMILES notation for butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate?
The canonical SMILES for butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate is CCCCOC(=O)CN[C@H](C)c1cccc(OC)c1.
What is the InChIKey of butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate?
The InChIKey is CUIPNMRMAUKSDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-9-19-15(17)11-16-12(2)13-7-6-8-14(10-13)18-3/h6-8,10,12,16H,4-5,9,11H2,1-3H3/t12-/m1/s1.
What are the key properties of butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate?
butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate is sourced from PubChem (CID 81373195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).