N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide

C16H24N2O2 — CID 75396730

IUPACN,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)N(C)CCNC(=O)C(C)C)c1C
InChIInChI=1S/C16H24N2O2/c1-11(2)15(19)17-9-10-18(5)16(20)14-8-6-7-12(3)13(14)4/h6-8,11H,9-10H2,1-5H3,(H,17,19)
InChIKeyBEXXNXSRCDPWTD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds5

About N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide

N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide (PubChem CID 75396730) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound NameN,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
PubChem CID75396730
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)N(C)CCNC(=O)C(C)C)c1C
InChIInChI=1S/C16H24N2O2/c1-11(2)15(19)17-9-10-18(5)16(20)14-8-6-7-12(3)13(14)4/h6-8,11H,9-10H2,1-5H3,(H,17,19)
InChIKeyBEXXNXSRCDPWTD-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The IUPAC name of N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide (CID 75396730) is N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The canonical SMILES for N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide is Cc1cccc(C(=O)N(C)CCNC(=O)C(C)C)c1C.
What is the InChIKey of N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The InChIKey is BEXXNXSRCDPWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)15(19)17-9-10-18(5)16(20)14-8-6-7-12(3)13(14)4/h6-8,11H,9-10H2,1-5H3,(H,17,19).
What are the key properties of N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 75396730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).