ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate

C19H29NO2 — CID 162406377

IUPACethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate
SMILESCCOC(=O)C(CCc1ccccc1)(NCC1CC1)C(C)C
InChIInChI=1S/C19H29NO2/c1-4-22-18(21)19(15(2)3,20-14-17-10-11-17)13-12-16-8-6-5-7-9-16/h5-9,15,17,20H,4,10-14H2,1-3H3
InChIKeyWONHQMWDAQAAKE-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.58
Rot. Bonds9

About ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate

ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate (PubChem CID 162406377) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate
PubChem CID162406377
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Nameethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate
SMILESCCOC(=O)C(CCc1ccccc1)(NCC1CC1)C(C)C
InChIInChI=1S/C19H29NO2/c1-4-22-18(21)19(15(2)3,20-14-17-10-11-17)13-12-16-8-6-5-7-9-16/h5-9,15,17,20H,4,10-14H2,1-3H3
InChIKeyWONHQMWDAQAAKE-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-amino-2-(2-phenylethyl)propanedioate
CID 142661399
ethyl 2-(aminomethyl)-2-benzyl-3-methylbutanoate
CID 106488665
ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate
CID 62398393
N-(cyclopropylmethyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]acetamide
CID 115673265
2-benzyl-2-(cyclopropylmethylamino)butanoic acid
CID 79008033
ethyl 2-(4-amino-3-methylanilino)-4-phenyl-2-sulfanylbutanoate
CID 87733611
ethyl 2-cyano-2-hydroxy-4-phenylbutanoate
CID 139254749
diethyl 3-benzyl-2-hydroxy-2-(2-phenylethyl)butanedioate
CID 66648766
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
benzyl carbamate;(1-ethoxy-2-methyl-1-oxo-4-phenylbutan-2-yl)-oxophosphanium
CID 173327424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate (CID 162406377) is ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate is CCOC(=O)C(CCc1ccccc1)(NCC1CC1)C(C)C.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate?
The InChIKey is WONHQMWDAQAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-22-18(21)19(15(2)3,20-14-17-10-11-17)13-12-16-8-6-5-7-9-16/h5-9,15,17,20H,4,10-14H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate?
ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate has a molecular weight of 303.45 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-3-methyl-2-(2-phenylethyl)butanoate is sourced from PubChem (CID 162406377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).