(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide

C16H24N2O3 — CID 100726850

IUPAC(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide
SMILESCCCC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1OC
InChIInChI=1S/C16H24N2O3/c1-5-6-7-11(2)16(20)18-14-9-8-13(17-12(3)19)10-15(14)21-4/h8-11H,5-7H2,1-4H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyZOCLLHCYNNTXMP-NSHDSACASA-N
MW292.38 g/mol
LogP3.42
Rot. Bonds7

About (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide

(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide (PubChem CID 100726850) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide
PubChem CID100726850
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide
SMILESCCCC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1OC
InChIInChI=1S/C16H24N2O3/c1-5-6-7-11(2)16(20)18-14-9-8-13(17-12(3)19)10-15(14)21-4/h8-11H,5-7H2,1-4H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyZOCLLHCYNNTXMP-NSHDSACASA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-aminohexanamide
CID 60853865
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide
CID 88915095
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
N-[4-(diethylcarbamoylamino)-2-methoxyphenyl]acetamide
CID 47222814
methyl 3-(2-methylhexanoylamino)benzoate
CID 114246785
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide?
The IUPAC name of (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide (CID 100726850) is (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide.
What is the SMILES notation for (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide?
The canonical SMILES for (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide is CCCC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1OC.
What is the InChIKey of (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide?
The InChIKey is ZOCLLHCYNNTXMP-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-6-7-11(2)16(20)18-14-9-8-13(17-12(3)19)10-15(14)21-4/h8-11H,5-7H2,1-4H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide?
(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide has a molecular weight of 292.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide is sourced from PubChem (CID 100726850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).