N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide

C14H22N2O — CID 43692244

IUPACN-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1NC(C)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)11(3)16-13-8-6-5-7-12(13)9-14(17)15-4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)
InChIKeyWXCDBWFCDZLKOB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.43
Rot. Bonds5

About N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide

N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide (PubChem CID 43692244) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide
PubChem CID43692244
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1NC(C)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)11(3)16-13-8-6-5-7-12(13)9-14(17)15-4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)
InChIKeyWXCDBWFCDZLKOB-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-2-[2-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43692245
N-methyl-2-[2-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43692234
2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43782874
3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55105612
N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115928894
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
N-methyl-2-[2-(sulfamoylamino)phenyl]acetamide
CID 112573434
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
2-(2-benzylanilino)-N-methylpropanamide
CID 43085479
2-[2-(cyclopentylmethylamino)phenyl]-N-methylacetamide
CID 55030650

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide (CID 43692244) is N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide is CNC(=O)Cc1ccccc1NC(C)C(C)C.
What is the InChIKey of N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide?
The InChIKey is WXCDBWFCDZLKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)11(3)16-13-8-6-5-7-12(13)9-14(17)15-4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17).
What are the key properties of N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide?
N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 43692244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).