N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide

C15H24N2O2 — CID 103957072

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CN(C)C)C(C)C)ccc1O
InChIInChI=1S/C15H24N2O2/c1-10(2)13(9-17(4)5)16-15(19)12-6-7-14(18)11(3)8-12/h6-8,10,13,18H,9H2,1-5H3,(H,16,19)
InChIKeyLUPNDPSETILZAM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide (PubChem CID 103957072) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide
PubChem CID103957072
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CN(C)C)C(C)C)ccc1O
InChIInChI=1S/C15H24N2O2/c1-10(2)13(9-17(4)5)16-15(19)12-6-7-14(18)11(3)8-12/h6-8,10,13,18H,9H2,1-5H3,(H,16,19)
InChIKeyLUPNDPSETILZAM-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide
CID 55163659
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
CID 107674660
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191
N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107673367
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
CID 103956177
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
CID 58597716
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide
CID 61476608
N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydroxybenzamide
CID 106354668

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide (CID 103957072) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NC(CN(C)C)C(C)C)ccc1O.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide?
The InChIKey is LUPNDPSETILZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)13(9-17(4)5)16-15(19)12-6-7-14(18)11(3)8-12/h6-8,10,13,18H,9H2,1-5H3,(H,16,19).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103957072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).