3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide

C14H22N2O2 — CID 58493962

IUPAC3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1c(N)cc(C(C)(C)C)cc1C(=O)N(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)9-7-10(13(17)16(4)5)12(18-6)11(15)8-9/h7-8H,15H2,1-6H3
InChIKeyAYDBLEDCRAZTAW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.28
Rot. Bonds2

About 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide

3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide (PubChem CID 58493962) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide
PubChem CID58493962
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1c(N)cc(C(C)(C)C)cc1C(=O)N(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)9-7-10(13(17)16(4)5)12(18-6)11(15)8-9/h7-8H,15H2,1-6H3
InChIKeyAYDBLEDCRAZTAW-UHFFFAOYSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide 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

P 1435
CID 125801
3-Amino-4-methoxy-N,N-dimethylbenzamide
CID 16788071
3-Amino-2-methoxybenzamide
CID 22163036
Tioxymid
CID 20293316
5-Amino-6-fluoro-4-methoxybiphenyl-3-carboxamide
CID 86097500
3-Amino-2-(fluoromethoxy)benzamide
CID 90153920
1-[3-(Dimethylamino)-5-(2-fluoropropan-2-yl)-4-methoxyphenyl]propan-1-one
CID 142181558
1-[3-Amino-2-methoxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 161066314
N-butyl-6-tert-butyl-8-formamido-4-oxochromene-2-carboxamide
CID 12110172
5-amino-N,N-dimethyl-2-prop-2-enoxybenzamide
CID 207744
N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide
CID 7718712
3-amino-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide
CID 104203478

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide (CID 58493962) is 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide is COc1c(N)cc(C(C)(C)C)cc1C(=O)N(C)C.
What is the InChIKey of 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is AYDBLEDCRAZTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)9-7-10(13(17)16(4)5)12(18-6)11(15)8-9/h7-8H,15H2,1-6H3.
What are the key properties of 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide?
3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-tert-butyl-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 58493962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).