N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide

C14H21IN2O2 — CID 119605873

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(CN)C(C)C)c(I)c1
InChIInChI=1S/C14H21IN2O2/c1-9(2)14(3,8-16)17-13(18)11-6-5-10(19-4)7-12(11)15/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyZZSUFNDWWIBRRG-UHFFFAOYSA-N
MW376.24 g/mol
LogP2.40
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide (PubChem CID 119605873) has the molecular formula C14H21IN2O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide
PubChem CID119605873
Molecular FormulaC14H21IN2O2
Molecular Weight376.24 g/mol
Exact Mass376.06
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(CN)C(C)C)c(I)c1
InChIInChI=1S/C14H21IN2O2/c1-9(2)14(3,8-16)17-13(18)11-6-5-10(19-4)7-12(11)15/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyZZSUFNDWWIBRRG-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
CID 119606880
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119607591
2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 97087681
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119607035
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106502689
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide
CID 119606161
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119606160
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119607344
N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
CID 81485961

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide (CID 119605873) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide is COc1ccc(C(=O)NC(C)(CN)C(C)C)c(I)c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide?
The InChIKey is ZZSUFNDWWIBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O2/c1-9(2)14(3,8-16)17-13(18)11-6-5-10(19-4)7-12(11)15/h5-7,9H,8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide has a molecular weight of 376.24 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-iodo-4-methoxybenzamide is sourced from PubChem (CID 119605873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).