2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate

C19H31NO2 — CID 147822806

IUPAC2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate
SMILESCCc1ccc(C(C)C(=O)OCC(C)N(CC)C(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-7-17-9-11-18(12-10-17)16(6)19(21)22-13-15(5)20(8-2)14(3)4/h9-12,14-16H,7-8,13H2,1-6H3
InChIKeyHPOJPMRPSMGLJA-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.01
Rot. Bonds8

About 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate

2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate (PubChem CID 147822806) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate
PubChem CID147822806
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate
SMILESCCc1ccc(C(C)C(=O)OCC(C)N(CC)C(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-7-17-9-11-18(12-10-17)16(6)19(21)22-13-15(5)20(8-2)14(3)4/h9-12,14-16H,7-8,13H2,1-6H3
InChIKeyHPOJPMRPSMGLJA-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 135390819
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011210
2-(diethylamino)-2-(4-ethylphenyl)acetamide
CID 112509996
propyl (2R)-2-phenylpropanoate
CID 14926551
ethyl (2S)-2-phenylpropanoate
CID 7204861
(2S)-2-amino-3-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxypropanoic acid
CID 67493555
[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate
CID 59464519
octyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 15274994
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
methyl 2-(4-propylphenyl)propanoate
CID 62801402

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate (CID 147822806) is 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate is CCc1ccc(C(C)C(=O)OCC(C)N(CC)C(C)C)cc1.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate?
The InChIKey is HPOJPMRPSMGLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-7-17-9-11-18(12-10-17)16(6)19(21)22-13-15(5)20(8-2)14(3)4/h9-12,14-16H,7-8,13H2,1-6H3.
What are the key properties of 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate?
2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate has a molecular weight of 305.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]propyl 2-(4-ethylphenyl)propanoate is sourced from PubChem (CID 147822806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).