ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate

C18H29NO2 — CID 62935026

IUPACethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
SMILESCCCc1ccc(C(N)CC(C)(C)CC(=O)OCC)cc1
InChIInChI=1S/C18H29NO2/c1-5-7-14-8-10-15(11-9-14)16(19)12-18(3,4)13-17(20)21-6-2/h8-11,16H,5-7,12-13,19H2,1-4H3
InChIKeySARPMRNMSVQDJB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.01
Rot. Bonds8

About ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate

ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate (PubChem CID 62935026) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
PubChem CID62935026
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nameethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
SMILESCCCc1ccc(C(N)CC(C)(C)CC(=O)OCC)cc1
InChIInChI=1S/C18H29NO2/c1-5-7-14-8-10-15(11-9-14)16(19)12-18(3,4)13-17(20)21-6-2/h8-11,16H,5-7,12-13,19H2,1-4H3
InChIKeySARPMRNMSVQDJB-UHFFFAOYSA-N
XLogP4.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate
CID 62932808
ethyl 6-amino-6-(4-propylphenyl)hexanoate
CID 60862663
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
ethyl 3,3-dimethyl-5-(4-methylphenyl)pentanoate
CID 158053687
ethyl 5-amino-5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethylpentanoate
CID 79991353
methyl 5-amino-5-(4-iodophenyl)-3,3-dimethylpentanoate
CID 62932802
methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate
CID 62934351
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
3-amino-N-methyl-3-(4-propylphenyl)propanehydrazide
CID 116849205
methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate
CID 62934522
methyl 2-[2-amino-2-(4-propylphenyl)ethyl]sulfanylacetate
CID 64615648
diethyl 2-(4-butylphenyl)propanedioate
CID 14527868

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate?
The IUPAC name of ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate (CID 62935026) is ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate.
What is the SMILES notation for ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate?
The canonical SMILES for ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate is CCCc1ccc(C(N)CC(C)(C)CC(=O)OCC)cc1.
What is the InChIKey of ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate?
The InChIKey is SARPMRNMSVQDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-7-14-8-10-15(11-9-14)16(19)12-18(3,4)13-17(20)21-6-2/h8-11,16H,5-7,12-13,19H2,1-4H3.
What are the key properties of ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate?
ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate has a molecular weight of 291.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate is sourced from PubChem (CID 62935026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).