3-methyl-N-phenacylpentanamide

C14H19NO2 — CID 114874845

IUPAC3-methyl-N-phenacylpentanamide
SMILESCCC(C)CC(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-11(2)9-14(17)15-10-13(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyRSOFSYFLKXVQAY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.42
Rot. Bonds6

About 3-methyl-N-phenacylpentanamide

3-methyl-N-phenacylpentanamide (PubChem CID 114874845) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methyl-N-phenacylpentanamide.

Molecular Properties

Compound Name3-methyl-N-phenacylpentanamide
PubChem CID114874845
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-methyl-N-phenacylpentanamide
SMILESCCC(C)CC(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-11(2)9-14(17)15-10-13(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyRSOFSYFLKXVQAY-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenacyl-2-propan-2-yloxyacetamide
CID 112602781
3-ethoxy-N-phenacylpropanamide
CID 64991407
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
CID 12951440
N-phenacyldocosa-4,7,10,13,16,19-hexaenamide
CID 123665751
3-methyl-N-phenylmethoxypentanamide
CID 114875336
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
(3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide
CID 170568912
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
ethane;(3S)-3-methylpentanamide;1-phenylethanone
CID 163293272
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide
CID 107231413
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenacylpentanamide?
The IUPAC name of 3-methyl-N-phenacylpentanamide (CID 114874845) is 3-methyl-N-phenacylpentanamide.
What is the SMILES notation for 3-methyl-N-phenacylpentanamide?
The canonical SMILES for 3-methyl-N-phenacylpentanamide is CCC(C)CC(=O)NCC(=O)c1ccccc1.
What is the InChIKey of 3-methyl-N-phenacylpentanamide?
The InChIKey is RSOFSYFLKXVQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-11(2)9-14(17)15-10-13(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-N-phenacylpentanamide?
3-methyl-N-phenacylpentanamide has a molecular weight of 233.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenacylpentanamide is sourced from PubChem (CID 114874845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).