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

C19H31NO3 — CID 54252796

IUPACpropan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
SMILESCCN(CCCC(=O)OC(C)C)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H31NO3/c1-6-20(13-7-8-19(21)23-15(2)3)16(4)14-17-9-11-18(22-5)12-10-17/h9-12,15-16H,6-8,13-14H2,1-5H3
InChIKeyQXYOKIXEWLPRGI-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.68
Rot. Bonds10

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

propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate (PubChem CID 54252796) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate.

Molecular Properties

Compound Namepropan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
PubChem CID54252796
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Namepropan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
SMILESCCN(CCCC(=O)OC(C)C)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H31NO3/c1-6-20(13-7-8-19(21)23-15(2)3)16(4)14-17-9-11-18(22-5)12-10-17/h9-12,15-16H,6-8,13-14H2,1-5H3
InChIKeyQXYOKIXEWLPRGI-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 19872410
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
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione
CID 19872421
1-(4-benzoylpiperazin-1-yl)-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
CID 19872439
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-dimethoxybenzoate
CID 4031
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
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-bis(trideuteriomethoxy)benzoate
CID 71749916
3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82352334
propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate
CID 90448513

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate?
The IUPAC name of propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate (CID 54252796) is propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate.
What is the SMILES notation for propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate?
The canonical SMILES for propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate is CCN(CCCC(=O)OC(C)C)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate?
The InChIKey is QXYOKIXEWLPRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-6-20(13-7-8-19(21)23-15(2)3)16(4)14-17-9-11-18(22-5)12-10-17/h9-12,15-16H,6-8,13-14H2,1-5H3.
What are the key properties of propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate?
propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate has a molecular weight of 321.46 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate is sourced from PubChem (CID 54252796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).