methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate

C16H22N2O3 — CID 65262240

IUPACmethyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CNCc2ccccc21)C(C)C
InChIInChI=1S/C16H22N2O3/c1-11(2)18(10-15(19)21-3)16(20)14-9-17-8-12-6-4-5-7-13(12)14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyQOWUXWYBXWAXDR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.28
Rot. Bonds4

About methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate

methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate (PubChem CID 65262240) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
PubChem CID65262240
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)C1CNCc2ccccc21)C(C)C
InChIInChI=1S/C16H22N2O3/c1-11(2)18(10-15(19)21-3)16(20)14-9-17-8-12-6-4-5-7-13(12)14/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyQOWUXWYBXWAXDR-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260889
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262336
N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262356
2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
CID 65262446
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82722789
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262629
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261033
N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262335
N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260840
(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
CID 65262155

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate (CID 65262240) is methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate is COC(=O)CN(C(=O)C1CNCc2ccccc21)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate?
The InChIKey is QOWUXWYBXWAXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)18(10-15(19)21-3)16(20)14-9-17-8-12-6-4-5-7-13(12)14/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate?
methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 65262240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).