(1-anilino-1-oxohexan-2-yl) acetate

C14H19NO3 — CID 134107020

IUPAC(1-anilino-1-oxohexan-2-yl) acetate
SMILESCCCCC(OC(C)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-4-10-13(18-11(2)16)14(17)15-12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3,(H,15,17)
InChIKeyOVRSDWBLXNPWKF-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.75
Rot. Bonds6

About (1-anilino-1-oxohexan-2-yl) acetate

(1-anilino-1-oxohexan-2-yl) acetate (PubChem CID 134107020) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1-anilino-1-oxohexan-2-yl) acetate.

Molecular Properties

Compound Name(1-anilino-1-oxohexan-2-yl) acetate
PubChem CID134107020
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(1-anilino-1-oxohexan-2-yl) acetate
SMILESCCCCC(OC(C)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-4-10-13(18-11(2)16)14(17)15-12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3,(H,15,17)
InChIKeyOVRSDWBLXNPWKF-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-anilino-1-oxohexan-2-yl) carbamate
CID 175484349
2-phenoxy-N-phenylhexanamide
CID 70624716
2-butoxy-N-phenyldodecanamide
CID 70626065
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
[(1S)-1-phenylpentyl] acetate
CID 12651064
(1-acetyloxy-2-anilino-2-oxoethyl) acetate
CID 177149111
2-methyl-N-phenylpentanamide
CID 4627801
2-tert-butyl-N-phenylheptanamide
CID 67683128
2-nonoxy-3-oxo-N-phenylbutanamide
CID 20558460
methyl 9-anilino-8-methoxy-9-oxononanoate
CID 59316213
[(2S)-1-anilino-1-oxopropan-2-yl] dodecanoate
CID 98093239

Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxohexan-2-yl) acetate?
The IUPAC name of (1-anilino-1-oxohexan-2-yl) acetate (CID 134107020) is (1-anilino-1-oxohexan-2-yl) acetate.
What is the SMILES notation for (1-anilino-1-oxohexan-2-yl) acetate?
The canonical SMILES for (1-anilino-1-oxohexan-2-yl) acetate is CCCCC(OC(C)=O)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxohexan-2-yl) acetate?
The InChIKey is OVRSDWBLXNPWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-4-10-13(18-11(2)16)14(17)15-12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3,(H,15,17).
What are the key properties of (1-anilino-1-oxohexan-2-yl) acetate?
(1-anilino-1-oxohexan-2-yl) acetate has a molecular weight of 249.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxohexan-2-yl) acetate is sourced from PubChem (CID 134107020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).