N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide

C17H28N2O2 — CID 106257692

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
SMILESCCC(CC)(CO)CNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C17H28N2O2/c1-5-17(6-2,12-20)11-18-16(21)14-9-7-8-10-15(14)19-13(3)4/h7-10,13,19-20H,5-6,11-12H2,1-4H3,(H,18,21)
InChIKeyXXDQXYXREXYPEB-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.04
Rot. Bonds8

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide (PubChem CID 106257692) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
PubChem CID106257692
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
SMILESCCC(CC)(CO)CNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C17H28N2O2/c1-5-17(6-2,12-20)11-18-16(21)14-9-7-8-10-15(14)19-13(3)4/h7-10,13,19-20H,5-6,11-12H2,1-4H3,(H,18,21)
InChIKeyXXDQXYXREXYPEB-UHFFFAOYSA-N
XLogP3.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide
CID 63108482
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide
CID 79558263
N-(1-hydroxy-2-methylbutan-2-yl)-2-(propan-2-ylamino)benzamide
CID 64549729
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide (CID 106257692) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide is CCC(CC)(CO)CNC(=O)c1ccccc1NC(C)C.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide?
The InChIKey is XXDQXYXREXYPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-17(6-2,12-20)11-18-16(21)14-9-7-8-10-15(14)19-13(3)4/h7-10,13,19-20H,5-6,11-12H2,1-4H3,(H,18,21).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide has a molecular weight of 292.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 106257692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).