[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C17H23NO4 — CID 2111914

IUPAC[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCCCN(CC1CC1)C(=O)COC(=O)c1ccc(C)cc1O
InChIInChI=1S/C17H23NO4/c1-3-8-18(10-13-5-6-13)16(20)11-22-17(21)14-7-4-12(2)9-15(14)19/h4,7,9,13,19H,3,5-6,8,10-11H2,1-2H3
InChIKeyMUWIDNFKSJLXDW-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.51
Rot. Bonds7

About [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 2111914) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID2111914
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCCCN(CC1CC1)C(=O)COC(=O)c1ccc(C)cc1O
InChIInChI=1S/C17H23NO4/c1-3-8-18(10-13-5-6-13)16(20)11-22-17(21)14-7-4-12(2)9-15(14)19/h4,7,9,13,19H,3,5-6,8,10-11H2,1-2H3
InChIKeyMUWIDNFKSJLXDW-UHFFFAOYSA-N
XLogP2.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
[2-(2-Methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2369755
[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2469980
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-hydroxy-3-methylbenzoate
CID 2631392
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4126140
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
CID 2646335
2-[(Dimethylcarbamoyl)methoxy]benzoic acid
CID 4962590
3-Hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
CID 2095897
(2-Oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate
CID 2388572
[2-Oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methylbenzoate
CID 2407419
[2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2407873

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 2111914) is [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate is CCCN(CC1CC1)C(=O)COC(=O)c1ccc(C)cc1O.
What is the InChIKey of [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is MUWIDNFKSJLXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-8-18(10-13-5-6-13)16(20)11-22-17(21)14-7-4-12(2)9-15(14)19/h4,7,9,13,19H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 305.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2111914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).