N-ethyl-2-methyl-N-(2-phenylethyl)butanamide

C15H23NO — CID 78853488

IUPACN-ethyl-2-methyl-N-(2-phenylethyl)butanamide
SMILESCCC(C)C(=O)N(CC)CCc1ccccc1
InChIInChI=1S/C15H23NO/c1-4-13(3)15(17)16(5-2)12-11-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyWLXUNIFOTUVKHN-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.12
Rot. Bonds6

About N-ethyl-2-methyl-N-(2-phenylethyl)butanamide

N-ethyl-2-methyl-N-(2-phenylethyl)butanamide (PubChem CID 78853488) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-phenylethyl)butanamide
PubChem CID78853488
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-2-methyl-N-(2-phenylethyl)butanamide
SMILESCCC(C)C(=O)N(CC)CCc1ccccc1
InChIInChI=1S/C15H23NO/c1-4-13(3)15(17)16(5-2)12-11-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyWLXUNIFOTUVKHN-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-methylbutanoyl(2-phenylethyl)amino]acetic acid
CID 119347264
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
2-(azetidin-3-yl)-N-ethyl-N-(2-phenylethyl)propanamide
CID 116676512
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160
N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
CID 120886396
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2-phenylethyl)butanamide?
The IUPAC name of N-ethyl-2-methyl-N-(2-phenylethyl)butanamide (CID 78853488) is N-ethyl-2-methyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for N-ethyl-2-methyl-N-(2-phenylethyl)butanamide is CCC(C)C(=O)N(CC)CCc1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-N-(2-phenylethyl)butanamide?
The InChIKey is WLXUNIFOTUVKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-13(3)15(17)16(5-2)12-11-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-(2-phenylethyl)butanamide?
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide has a molecular weight of 233.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 78853488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).