N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide

C13H20N2O2 — CID 107673367

IUPACN-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)CC(C)N)ccc1O
InChIInChI=1S/C13H20N2O2/c1-8-6-11(4-5-12(8)16)13(17)15-10(3)7-9(2)14/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyADONMWCGYJYHHH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds4

About N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide

N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide (PubChem CID 107673367) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide
PubChem CID107673367
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)CC(C)N)ccc1O
InChIInChI=1S/C13H20N2O2/c1-8-6-11(4-5-12(8)16)13(17)15-10(3)7-9(2)14/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyADONMWCGYJYHHH-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
N-(4-aminopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113376829
4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
CID 107074043
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
CID 103956177
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
CID 107674660
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide
CID 103957072
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107675964
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
CID 107673076
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide (CID 107673367) is N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NC(C)CC(C)N)ccc1O.
What is the InChIKey of N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide?
The InChIKey is ADONMWCGYJYHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-6-11(4-5-12(8)16)13(17)15-10(3)7-9(2)14/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17).
What are the key properties of N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide?
N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107673367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).