N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide

C13H20N2O2 — CID 106164117

IUPACN-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide
SMILESCCC(C)(CCN)NC(=O)c1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-3-13(2,7-8-14)15-12(17)10-5-4-6-11(16)9-10/h4-6,9,16H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyRYPBRFJVOBCENI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.64
Rot. Bonds5

About N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide

N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide (PubChem CID 106164117) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide
PubChem CID106164117
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide
SMILESCCC(C)(CCN)NC(=O)c1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-3-13(2,7-8-14)15-12(17)10-5-4-6-11(16)9-10/h4-6,9,16H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyRYPBRFJVOBCENI-UHFFFAOYSA-N
XLogP1.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885
N-(3-ethylpentan-3-yl)-3-hydroxybenzamide
CID 65041341
N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
CID 106164388
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
N-(1-hydroxy-3-methylpentan-3-yl)-3-methylsulfonylbenzamide
CID 103945844
N-ethyl-3-hydroxybenzamide
CID 13175248
N-(1-amino-3-methylpentan-3-yl)furan-2-carboxamide
CID 106164752
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 110002708
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide (CID 106164117) is N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide is CCC(C)(CCN)NC(=O)c1cccc(O)c1.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide?
The InChIKey is RYPBRFJVOBCENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-13(2,7-8-14)15-12(17)10-5-4-6-11(16)9-10/h4-6,9,16H,3,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide?
N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide is sourced from PubChem (CID 106164117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).