methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate

C14H21NO3 — CID 43536651

IUPACmethyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-11(10-14(16)18-3)15-9-8-12-4-6-13(17-2)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyXQKXOWNZPLPJIJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds7

About methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate

methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate (PubChem CID 43536651) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
PubChem CID43536651
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-11(10-14(16)18-3)15-9-8-12-4-6-13(17-2)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyXQKXOWNZPLPJIJ-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416
methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 115123423
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
methyl (2S)-2-[4-(4-methoxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43776073

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate?
The IUPAC name of methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate (CID 43536651) is methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate.
What is the SMILES notation for methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate?
The canonical SMILES for methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate is COC(=O)CC(C)NCCc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate?
The InChIKey is XQKXOWNZPLPJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(10-14(16)18-3)15-9-8-12-4-6-13(17-2)7-5-12/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate?
methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate has a molecular weight of 251.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate is sourced from PubChem (CID 43536651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).