N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide

C16H24N2O2 — CID 81413351

IUPACN-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
SMILESCCC(C)(CO)CNc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-16(2,11-19)10-17-13-6-4-12(5-7-13)15(20)18-14-8-9-14/h4-7,14,17,19H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyPUTBHQJIHGHJOP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds7

About N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide

N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide (PubChem CID 81413351) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
PubChem CID81413351
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
SMILESCCC(C)(CO)CNc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-16(2,11-19)10-17-13-6-4-12(5-7-13)15(20)18-14-8-9-14/h4-7,14,17,19H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyPUTBHQJIHGHJOP-UHFFFAOYSA-N
XLogP2.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
CID 81412295
N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide
CID 63698290
N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide
CID 43687486
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
N-(4-ethylcyclohexyl)-4-(methylamino)benzamide
CID 62179103
4-[(2-amino-2-methylpropanoyl)amino]-N-cyclopropylbenzamide
CID 61265004
2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol
CID 81411085
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide (CID 81413351) is N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide is CCC(C)(CO)CNc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide?
The InChIKey is PUTBHQJIHGHJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-16(2,11-19)10-17-13-6-4-12(5-7-13)15(20)18-14-8-9-14/h4-7,14,17,19H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide?
N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide is sourced from PubChem (CID 81413351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).