ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate

C18H29NO3 — CID 19872410

IUPACethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
SMILESCCOC(=O)CCCN(CC)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H29NO3/c1-5-19(13-7-8-18(20)22-6-2)15(3)14-16-9-11-17(21-4)12-10-16/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyNDTFOEPKQUSARS-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.29
Rot. Bonds10

About ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate

ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate (PubChem CID 19872410) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
PubChem CID19872410
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Nameethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
SMILESCCOC(=O)CCCN(CC)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H29NO3/c1-5-19(13-7-8-18(20)22-6-2)15(3)14-16-9-11-17(21-4)12-10-16/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyNDTFOEPKQUSARS-UHFFFAOYSA-N
XLogP3.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 54252796
7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride
CID 70613084
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 19872420
1-(4-benzoylpiperazin-1-yl)-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
CID 19872439
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione
CID 19872421
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate
CID 4031
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine
CID 22760827
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-bis(trideuteriomethoxy)benzoate
CID 71749916
N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
CID 23848174
2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
CID 56784565

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate?
The IUPAC name of ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate (CID 19872410) is ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate.
What is the SMILES notation for ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate?
The canonical SMILES for ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate is CCOC(=O)CCCN(CC)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate?
The InChIKey is NDTFOEPKQUSARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-19(13-7-8-18(20)22-6-2)15(3)14-16-9-11-17(21-4)12-10-16/h9-12,15H,5-8,13-14H2,1-4H3.
What are the key properties of ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate?
ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate has a molecular weight of 307.43 g/mol, XLogP of 3.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate is sourced from PubChem (CID 19872410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).