[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate

C15H20N2O3 — CID 102706148

IUPAC[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)NCC2CC2)cc1N
InChIInChI=1S/C15H20N2O3/c1-9-5-10(2)13(16)6-12(9)15(19)20-8-14(18)17-7-11-3-4-11/h5-6,11H,3-4,7-8,16H2,1-2H3,(H,17,18)
InChIKeyGVOJDHSAJRTGOI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.57
Rot. Bonds5

About [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate

[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate (PubChem CID 102706148) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
PubChem CID102706148
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)NCC2CC2)cc1N
InChIInChI=1S/C15H20N2O3/c1-9-5-10(2)13(16)6-12(9)15(19)20-8-14(18)17-7-11-3-4-11/h5-6,11H,3-4,7-8,16H2,1-2H3,(H,17,18)
InChIKeyGVOJDHSAJRTGOI-UHFFFAOYSA-N
XLogP1.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768796
[2-oxo-2-(propan-2-ylamino)ethyl] 5-amino-2,4-dimethylbenzoate
CID 104538497
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
CID 102705456
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
[2-(cyclopropylmethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 30534008
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
CID 102706272
2-(3-methoxypropoxy)ethyl 5-amino-2,4-dimethylbenzoate
CID 103179344
2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 116541398

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate?
The IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate (CID 102706148) is [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate.
What is the SMILES notation for [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate?
The canonical SMILES for [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate is Cc1cc(C)c(C(=O)OCC(=O)NCC2CC2)cc1N.
What is the InChIKey of [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate?
The InChIKey is GVOJDHSAJRTGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-5-10(2)13(16)6-12(9)15(19)20-8-14(18)17-7-11-3-4-11/h5-6,11H,3-4,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate?
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate has a molecular weight of 276.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate is sourced from PubChem (CID 102706148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).