2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide

C15H24N2O2 — CID 167628085

IUPAC2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
SMILESCc1cccc(C(=O)NCCCCNC(C)C)c1O
InChIInChI=1S/C15H24N2O2/c1-11(2)16-9-4-5-10-17-15(19)13-8-6-7-12(3)14(13)18/h6-8,11,16,18H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyYDIKHFCMCGPFMU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds7

About 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide

2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide (PubChem CID 167628085) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
PubChem CID167628085
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
SMILESCc1cccc(C(=O)NCCCCNC(C)C)c1O
InChIInChI=1S/C15H24N2O2/c1-11(2)16-9-4-5-10-17-15(19)13-8-6-7-12(3)14(13)18/h6-8,11,16,18H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyYDIKHFCMCGPFMU-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663644
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
N-(3-ethylsulfanylpropyl)-2-hydroxy-3-methylbenzamide
CID 114248145
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 102039466
2-hydroxy-N-pentyl-3-propan-2-ylbenzamide
CID 70943726
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide (CID 167628085) is 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide is Cc1cccc(C(=O)NCCCCNC(C)C)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide?
The InChIKey is YDIKHFCMCGPFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)16-9-4-5-10-17-15(19)13-8-6-7-12(3)14(13)18/h6-8,11,16,18H,4-5,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide?
2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide has a molecular weight of 264.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide is sourced from PubChem (CID 167628085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).