methyl 2-(3-acetamidoanilino)hexanoate

C15H22N2O3 — CID 103868306

IUPACmethyl 2-(3-acetamidoanilino)hexanoate
SMILESCCCCC(Nc1cccc(NC(C)=O)c1)C(=O)OC
InChIInChI=1S/C15H22N2O3/c1-4-5-9-14(15(19)20-3)17-13-8-6-7-12(10-13)16-11(2)18/h6-8,10,14,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyAFSRPAIIWCZSPW-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.79
Rot. Bonds7

About methyl 2-(3-acetamidoanilino)hexanoate

methyl 2-(3-acetamidoanilino)hexanoate (PubChem CID 103868306) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-(3-acetamidoanilino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(3-acetamidoanilino)hexanoate
PubChem CID103868306
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-(3-acetamidoanilino)hexanoate
SMILESCCCCC(Nc1cccc(NC(C)=O)c1)C(=O)OC
InChIInChI=1S/C15H22N2O3/c1-4-5-9-14(15(19)20-3)17-13-8-6-7-12(10-13)16-11(2)18/h6-8,10,14,17H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyAFSRPAIIWCZSPW-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-bromoanilino)hexanoate
CID 61351760
methyl 2-anilinooctanoate
CID 54889679
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
methyl N-[3-(heptan-3-ylamino)phenyl]carbamate
CID 63945728
methyl 2-anilinopentanoate
CID 60992581
N-hydroxy-2-(3-methoxyanilino)hexanamide
CID 87720866
methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)hexanoate
CID 103868338
N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43201157
methyl 2-(4-chloroanilino)octanoate
CID 63525918
methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839459
methyl 2-(3-bromo-5-methoxyanilino)hexanoate
CID 103262055

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetamidoanilino)hexanoate?
The IUPAC name of methyl 2-(3-acetamidoanilino)hexanoate (CID 103868306) is methyl 2-(3-acetamidoanilino)hexanoate.
What is the SMILES notation for methyl 2-(3-acetamidoanilino)hexanoate?
The canonical SMILES for methyl 2-(3-acetamidoanilino)hexanoate is CCCCC(Nc1cccc(NC(C)=O)c1)C(=O)OC.
What is the InChIKey of methyl 2-(3-acetamidoanilino)hexanoate?
The InChIKey is AFSRPAIIWCZSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-5-9-14(15(19)20-3)17-13-8-6-7-12(10-13)16-11(2)18/h6-8,10,14,17H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-(3-acetamidoanilino)hexanoate?
methyl 2-(3-acetamidoanilino)hexanoate has a molecular weight of 278.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetamidoanilino)hexanoate is sourced from PubChem (CID 103868306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).