methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate

C20H29NO4 — CID 55572088

IUPACmethyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CCCC1
InChIInChI=1S/C20H29NO4/c1-14(25-16-10-8-15(9-11-16)19(2,3)4)17(22)21-20(18(23)24-5)12-6-7-13-20/h8-11,14H,6-7,12-13H2,1-5H3,(H,21,22)
InChIKeyJWPBDZDNLLJUOB-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.35
Rot. Bonds5

About methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate

methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate (PubChem CID 55572088) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate
PubChem CID55572088
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Namemethyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CCCC1
InChIInChI=1S/C20H29NO4/c1-14(25-16-10-8-15(9-11-16)19(2,3)4)17(22)21-20(18(23)24-5)12-6-7-13-20/h8-11,14H,6-7,12-13H2,1-5H3,(H,21,22)
InChIKeyJWPBDZDNLLJUOB-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
methyl 1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylate
CID 55775399
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
CID 22327445
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
1-[2-(4-tert-butylphenoxy)propanoylamino]-3-methylthiourea
CID 4502854
1-[2-(4-bromophenoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 65451169
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate (CID 55572088) is methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CCCC1.
What is the InChIKey of methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate?
The InChIKey is JWPBDZDNLLJUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14(25-16-10-8-15(9-11-16)19(2,3)4)17(22)21-20(18(23)24-5)12-6-7-13-20/h8-11,14H,6-7,12-13H2,1-5H3,(H,21,22).
What are the key properties of methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate?
methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55572088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).