3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide

C14H21IN2O — CID 114257208

IUPAC3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide
SMILESCc1c(I)cccc1NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H21IN2O/c1-9-10(15)7-6-8-11(9)17-12(18)13(2,3)14(4,5)16/h6-8H,16H2,1-5H3,(H,17,18)
InChIKeyYPIFVGNKOPECEQ-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.30
Rot. Bonds3

About 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide

3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide (PubChem CID 114257208) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide
PubChem CID114257208
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC Name3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide
SMILESCc1c(I)cccc1NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H21IN2O/c1-9-10(15)7-6-8-11(9)17-12(18)13(2,3)14(4,5)16/h6-8H,16H2,1-5H3,(H,17,18)
InChIKeyYPIFVGNKOPECEQ-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
CID 65264488
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
CID 65264581
2-amino-N-(2-iodophenyl)-2-methylpropanamide
CID 61264402
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
(3-iodo-2-methylphenyl)hydrazine
CID 130164632
N-(2-chloro-3-iodophenyl)-2-hydroxy-2-methylpropanamide
CID 53255142
3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
CID 65264934
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide (CID 114257208) is 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide is Cc1c(I)cccc1NC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide?
The InChIKey is YPIFVGNKOPECEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-9-10(15)7-6-8-11(9)17-12(18)13(2,3)14(4,5)16/h6-8H,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide?
3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide has a molecular weight of 360.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 114257208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).