tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate

C16H23NO4 — CID 52842366

IUPACtert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate
SMILESCOc1cc(C(=O)N(C)CC(=O)OC(C)(C)C)ccc1C
InChIInChI=1S/C16H23NO4/c1-11-7-8-12(9-13(11)20-6)15(19)17(5)10-14(18)21-16(2,3)4/h7-9H,10H2,1-6H3
InChIKeyCVHQUWYCNKXOIM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.42
Rot. Bonds4

About tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate

tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate (PubChem CID 52842366) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate
PubChem CID52842366
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate
SMILESCOc1cc(C(=O)N(C)CC(=O)OC(C)(C)C)ccc1C
InChIInChI=1S/C16H23NO4/c1-11-7-8-12(9-13(11)20-6)15(19)17(5)10-14(18)21-16(2,3)4/h7-9H,10H2,1-6H3
InChIKeyCVHQUWYCNKXOIM-UHFFFAOYSA-N
XLogP2.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]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

tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 62817918
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
CID 110465943
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
N-[(3-bromocyclobutyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 80676384
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methoxy-N,4-dimethylbenzamide
CID 54991962
3-methoxy-N,4-dimethyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60914907
3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79721035

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate?
The IUPAC name of tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate (CID 52842366) is tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate is COc1cc(C(=O)N(C)CC(=O)OC(C)(C)C)ccc1C.
What is the InChIKey of tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate?
The InChIKey is CVHQUWYCNKXOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-7-8-12(9-13(11)20-6)15(19)17(5)10-14(18)21-16(2,3)4/h7-9H,10H2,1-6H3.
What are the key properties of tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate?
tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate is sourced from PubChem (CID 52842366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).