3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide

C13H20N2O3 — CID 106152007

IUPAC3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
SMILESCOCC(CCO)NC(=O)c1cccc(N)c1C
InChIInChI=1S/C13H20N2O3/c1-9-11(4-3-5-12(9)14)13(17)15-10(6-7-16)8-18-2/h3-5,10,16H,6-8,14H2,1-2H3,(H,15,17)
InChIKeyOHNPWSLTNRNQDL-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.70
Rot. Bonds6

About 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide

3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide (PubChem CID 106152007) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
PubChem CID106152007
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
SMILESCOCC(CCO)NC(=O)c1cccc(N)c1C
InChIInChI=1S/C13H20N2O3/c1-9-11(4-3-5-12(9)14)13(17)15-10(6-7-16)8-18-2/h3-5,10,16H,6-8,14H2,1-2H3,(H,15,17)
InChIKeyOHNPWSLTNRNQDL-UHFFFAOYSA-N
XLogP0.70
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151929
N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
CID 103851034
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412
(2S)-2-[(3-amino-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107824809
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208
3-amino-N-(1-methoxypentan-2-yl)-2-nitrobenzamide
CID 115549148
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
6-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106152004

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide (CID 106152007) is 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide is COCC(CCO)NC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide?
The InChIKey is OHNPWSLTNRNQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-11(4-3-5-12(9)14)13(17)15-10(6-7-16)8-18-2/h3-5,10,16H,6-8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide?
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide has a molecular weight of 252.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 106152007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).