methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate

C16H23NO2 — CID 43787162

IUPACmethyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H23NO2/c1-11-5-7-12(8-6-11)14(13-9-10-13)17-16(2,3)15(18)19-4/h5-8,13-14,17H,9-10H2,1-4H3
InChIKeyBJUWBIVQBBZHSG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate

methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate (PubChem CID 43787162) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate
PubChem CID43787162
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H23NO2/c1-11-5-7-12(8-6-11)14(13-9-10-13)17-16(2,3)15(18)19-4/h5-8,13-14,17H,9-10H2,1-4H3
InChIKeyBJUWBIVQBBZHSG-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720731
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691
methyl 2-(1-cyclopropylethylamino)-2-methylpropanoate
CID 43726079
N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide
CID 115576043
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24625912
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methylpent-2-enamide
CID 71888657
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426672
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926869
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate (CID 43787162) is methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(c1ccc(C)cc1)C1CC1.
What is the InChIKey of methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate?
The InChIKey is BJUWBIVQBBZHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-5-7-12(8-6-11)14(13-9-10-13)17-16(2,3)15(18)19-4/h5-8,13-14,17H,9-10H2,1-4H3.
What are the key properties of methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate?
methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate has a molecular weight of 261.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate is sourced from PubChem (CID 43787162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).