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

C15H22N2O4 — CID 115674461

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C(=O)NC(C)(C)C)cc1O
InChIInChI=1S/C15H22N2O4/c1-9(13(19)17-15(2,3)4)16-14(20)10-6-7-12(21-5)11(18)8-10/h6-9,18H,1-5H3,(H,16,20)(H,17,19)
InChIKeyRMNBUVMKBCHRDW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.43
Rot. Bonds4

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

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide (PubChem CID 115674461) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide
PubChem CID115674461
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C(=O)NC(C)(C)C)cc1O
InChIInChI=1S/C15H22N2O4/c1-9(13(19)17-15(2,3)4)16-14(20)10-6-7-12(21-5)11(18)8-10/h6-9,18H,1-5H3,(H,16,20)(H,17,19)
InChIKeyRMNBUVMKBCHRDW-UHFFFAOYSA-N
XLogP1.43
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
CID 104627869
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-hydroxy-4-methoxybenzamide
CID 115595332
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-hydroxy-4-methoxybenzamide
CID 106355864
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687729
N-(1-cyclopentylethyl)-3-hydroxy-4-methoxybenzamide
CID 79672563
3-hydroxy-4-methoxybenzoic acid
CID 12575
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide (CID 115674461) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC(C)C(=O)NC(C)(C)C)cc1O.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is RMNBUVMKBCHRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(13(19)17-15(2,3)4)16-14(20)10-6-7-12(21-5)11(18)8-10/h6-9,18H,1-5H3,(H,16,20)(H,17,19).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 115674461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).