N-hexan-3-yl-2-phenylacetamide

C14H21NO — CID 129166933

IUPACN-hexan-3-yl-2-phenylacetamide
SMILESCCCC(CC)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-8-13(4-2)15-14(16)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3,(H,15,16)
InChIKeyTVEUVZWAKLTNOE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.92
Rot. Bonds6

About N-hexan-3-yl-2-phenylacetamide

N-hexan-3-yl-2-phenylacetamide (PubChem CID 129166933) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-hexan-3-yl-2-phenylacetamide.

Molecular Properties

Compound NameN-hexan-3-yl-2-phenylacetamide
PubChem CID129166933
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-hexan-3-yl-2-phenylacetamide
SMILESCCCC(CC)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-8-13(4-2)15-14(16)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3,(H,15,16)
InChIKeyTVEUVZWAKLTNOE-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
N-hept-1-en-4-yl-2-phenylacetamide
CID 10331469
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
benzyl 4-(hexan-3-ylcarbamoylamino)hexanoate
CID 91541011
2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199808
(3S)-3-[[2-(3-fluorophenyl)acetyl]amino]hexanoic acid
CID 97328206
5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide
CID 99832158
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-2-phenylacetamide?
The IUPAC name of N-hexan-3-yl-2-phenylacetamide (CID 129166933) is N-hexan-3-yl-2-phenylacetamide.
What is the SMILES notation for N-hexan-3-yl-2-phenylacetamide?
The canonical SMILES for N-hexan-3-yl-2-phenylacetamide is CCCC(CC)NC(=O)Cc1ccccc1.
What is the InChIKey of N-hexan-3-yl-2-phenylacetamide?
The InChIKey is TVEUVZWAKLTNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-8-13(4-2)15-14(16)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3,(H,15,16).
What are the key properties of N-hexan-3-yl-2-phenylacetamide?
N-hexan-3-yl-2-phenylacetamide has a molecular weight of 219.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-2-phenylacetamide is sourced from PubChem (CID 129166933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).