N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide

C14H19IN2O3 — CID 104627869

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
SMILESCC(NC(=O)c1ccc(I)c(O)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H19IN2O3/c1-8(12(19)17-14(2,3)4)16-13(20)9-5-6-10(15)11(18)7-9/h5-8,18H,1-4H3,(H,16,20)(H,17,19)
InChIKeyKSQHHCOGLMSYAZ-UHFFFAOYSA-N
MW390.22 g/mol
LogP2.03
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide (PubChem CID 104627869) has the molecular formula C14H19IN2O3 and a molecular weight of 390.22 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
PubChem CID104627869
Molecular FormulaC14H19IN2O3
Molecular Weight390.22 g/mol
Exact Mass390.04
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
SMILESCC(NC(=O)c1ccc(I)c(O)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H19IN2O3/c1-8(12(19)17-14(2,3)4)16-13(20)9-5-6-10(15)11(18)7-9/h5-8,18H,1-4H3,(H,16,20)(H,17,19)
InChIKeyKSQHHCOGLMSYAZ-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 115674461
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687729
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104627471
3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
CID 104628403
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 52771706
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600
N-(1-chloro-4-methylpentan-2-yl)-3-hydroxy-4-iodobenzamide
CID 114103948
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-hydroxy-4-methoxybenzamide
CID 115595332
3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 104630729
3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114103230
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide (CID 104627869) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide is CC(NC(=O)c1ccc(I)c(O)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide?
The InChIKey is KSQHHCOGLMSYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O3/c1-8(12(19)17-14(2,3)4)16-13(20)9-5-6-10(15)11(18)7-9/h5-8,18H,1-4H3,(H,16,20)(H,17,19).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide has a molecular weight of 390.22 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).