acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate

C21H35NO4 — CID 175096043

IUPACacetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(=O)O.CCOC(=O)C(C)(c1ccc(CC(C)C)cc1)N(CC)CC
InChIInChI=1S/C19H31NO2.C2H4O2/c1-7-20(8-2)19(6,18(21)22-9-3)17-12-10-16(11-13-17)14-15(4)5;1-2(3)4/h10-13,15H,7-9,14H2,1-6H3;1H3,(H,3,4)
InChIKeyAKIXBKZIAYKOGO-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.10
Rot. Bonds8

About acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate

acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 175096043) has the molecular formula C21H35NO4 and a molecular weight of 365.51 g/mol. Its IUPAC name is acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Nameacetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID175096043
Molecular FormulaC21H35NO4
Molecular Weight365.51 g/mol
Exact Mass365.26
IUPAC Nameacetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(=O)O.CCOC(=O)C(C)(c1ccc(CC(C)C)cc1)N(CC)CC
InChIInChI=1S/C19H31NO2.C2H4O2/c1-7-20(8-2)19(6,18(21)22-9-3)17-12-10-16(11-13-17)14-15(4)5;1-2(3)4/h10-13,15H,7-9,14H2,1-6H3;1H3,(H,3,4)
InChIKeyAKIXBKZIAYKOGO-UHFFFAOYSA-N
XLogP4.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 113235750
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate
CID 10264130
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
methyl 4-amino-3-methyl-3-[4-(2-methylpropyl)phenyl]pentanoate
CID 66098334
2-[formyl(propyl)amino]-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 63689105
ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
CID 70441498
methyl 3-hydroxy-3-[4-(2-methylpropyl)phenyl]-2-propan-2-ylbutanoate
CID 62395639
3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide
CID 65236691
4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 130237704
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
diethyl 2-[(4-tert-butylphenyl)methyl]propanedioate
CID 15767037

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate (CID 175096043) is acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate is CC(=O)O.CCOC(=O)C(C)(c1ccc(CC(C)C)cc1)N(CC)CC.
What is the InChIKey of acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is AKIXBKZIAYKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2.C2H4O2/c1-7-20(8-2)19(6,18(21)22-9-3)17-12-10-16(11-13-17)14-15(4)5;1-2(3)4/h10-13,15H,7-9,14H2,1-6H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate?
acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 365.51 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 175096043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).