6-(2-oxopropanoylamino)-N-phenylhexanamide

C15H20N2O3 — CID 162677801

IUPAC6-(2-oxopropanoylamino)-N-phenylhexanamide
SMILESCC(=O)C(=O)NCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-12(18)15(20)16-11-7-3-6-10-14(19)17-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,20)(H,17,19)
InChIKeyYOQBWVSOCXMEHJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.89
Rot. Bonds8

About 6-(2-oxopropanoylamino)-N-phenylhexanamide

6-(2-oxopropanoylamino)-N-phenylhexanamide (PubChem CID 162677801) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(2-oxopropanoylamino)-N-phenylhexanamide.

Molecular Properties

Compound Name6-(2-oxopropanoylamino)-N-phenylhexanamide
PubChem CID162677801
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-(2-oxopropanoylamino)-N-phenylhexanamide
SMILESCC(=O)C(=O)NCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-12(18)15(20)16-11-7-3-6-10-14(19)17-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,20)(H,17,19)
InChIKeyYOQBWVSOCXMEHJ-UHFFFAOYSA-N
XLogP1.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

S-[2-[(6-anilino-6-oxohexyl)amino]-2-oxoethyl] ethanethioate
CID 11370695
N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
CID 11623126
6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide
CID 118017030
6-formamido-N-phenylhexanamide
CID 156509815
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide
CID 102065939
N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide
CID 101032616
6-[dihydroxy(methyl)silyl]-N-phenylhexanamide
CID 11565230
(6-anilino-6-oxohexyl) acetate
CID 154158064

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopropanoylamino)-N-phenylhexanamide?
The IUPAC name of 6-(2-oxopropanoylamino)-N-phenylhexanamide (CID 162677801) is 6-(2-oxopropanoylamino)-N-phenylhexanamide.
What is the SMILES notation for 6-(2-oxopropanoylamino)-N-phenylhexanamide?
The canonical SMILES for 6-(2-oxopropanoylamino)-N-phenylhexanamide is CC(=O)C(=O)NCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of 6-(2-oxopropanoylamino)-N-phenylhexanamide?
The InChIKey is YOQBWVSOCXMEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(18)15(20)16-11-7-3-6-10-14(19)17-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 6-(2-oxopropanoylamino)-N-phenylhexanamide?
6-(2-oxopropanoylamino)-N-phenylhexanamide has a molecular weight of 276.34 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopropanoylamino)-N-phenylhexanamide is sourced from PubChem (CID 162677801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).