N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide

C12H16N2O3 — CID 103875188

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-12(2,11(13)17)7-14-10(16)8-3-5-9(15)6-4-8/h3-6,15H,7H2,1-2H3,(H2,13,17)(H,14,16)
InChIKeyJCDJTVJAIXNHKM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.63
Rot. Bonds4

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide (PubChem CID 103875188) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide
PubChem CID103875188
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide
SMILESCC(C)(CNC(=O)c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C12H16N2O3/c1-12(2,11(13)17)7-14-10(16)8-3-5-9(15)6-4-8/h3-6,15H,7H2,1-2H3,(H2,13,17)(H,14,16)
InChIKeyJCDJTVJAIXNHKM-UHFFFAOYSA-N
XLogP0.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydrazinylbenzamide
CID 106280256
methyl 4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]benzoate
CID 60557777
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-phenylmethoxybenzamide
CID 87045963
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 104696924
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
CID 106274758
N-[2-(chloromethyl)-2-ethylbutyl]-4-hydroxybenzamide
CID 106253561
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484
3-[(4-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368177
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide (CID 103875188) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide is CC(C)(CNC(=O)c1ccc(O)cc1)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide?
The InChIKey is JCDJTVJAIXNHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2,11(13)17)7-14-10(16)8-3-5-9(15)6-4-8/h3-6,15H,7H2,1-2H3,(H2,13,17)(H,14,16).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide has a molecular weight of 236.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide is sourced from PubChem (CID 103875188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).