methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate

C17H27NO2 — CID 65236066

IUPACmethyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate
SMILESCCCNC(CC)(CC(=O)OC)c1ccc(CC)cc1
InChIInChI=1S/C17H27NO2/c1-5-12-18-17(7-3,13-16(19)20-4)15-10-8-14(6-2)9-11-15/h8-11,18H,5-7,12-13H2,1-4H3
InChIKeyYXQHCNJPNHFBKG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.42
Rot. Bonds8

About methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate

methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate (PubChem CID 65236066) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate
PubChem CID65236066
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namemethyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate
SMILESCCCNC(CC)(CC(=O)OC)c1ccc(CC)cc1
InChIInChI=1S/C17H27NO2/c1-5-12-18-17(7-3,13-16(19)20-4)15-10-8-14(6-2)9-11-15/h8-11,18H,5-7,12-13H2,1-4H3
InChIKeyYXQHCNJPNHFBKG-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[3-(4-ethylphenyl)pentan-3-yl]urea
CID 15589244
3-(4-methylphenyl)-3-(propylamino)pentanamide
CID 54274951
methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate
CID 65235254
methyl 3-(ethylamino)-3-phenylhexanoate
CID 65235194
3-(3-fluorophenyl)-3-(propylamino)pentanoic acid
CID 114873105
2-(4-ethylphenyl)-1-(propylamino)butan-2-ol
CID 62773198
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
CID 60788368
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
ethane;4-ethyl-N-propylbenzamide
CID 142831348
methyl 2-(4-hydroxyphenyl)-2-(propylamino)butanoate
CID 60797022
2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol
CID 61046363

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate?
The IUPAC name of methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate (CID 65236066) is methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate.
What is the SMILES notation for methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate?
The canonical SMILES for methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate is CCCNC(CC)(CC(=O)OC)c1ccc(CC)cc1.
What is the InChIKey of methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate?
The InChIKey is YXQHCNJPNHFBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-12-18-17(7-3,13-16(19)20-4)15-10-8-14(6-2)9-11-15/h8-11,18H,5-7,12-13H2,1-4H3.
What are the key properties of methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate?
methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate has a molecular weight of 277.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate is sourced from PubChem (CID 65236066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).