N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide

C15H22N2O3 — CID 110784111

IUPACN-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)CC(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)7-15(19)16-9-12-8-13(17-11(3)18)5-6-14(12)20-4/h5-6,8,10H,7,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyNQUCFWMMXPBHOL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.32
Rot. Bonds6

About N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide

N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 110784111) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID110784111
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)CC(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)7-15(19)16-9-12-8-13(17-11(3)18)5-6-14(12)20-4/h5-6,8,10H,7,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyNQUCFWMMXPBHOL-UHFFFAOYSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 96661325
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999279
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-[[2-methoxy-5-(methylamino)phenyl]methyl]acetamide
CID 67557905
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide
CID 62839774

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide (CID 110784111) is N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide is COc1ccc(NC(C)=O)cc1CNC(=O)CC(C)C.
What is the InChIKey of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is NQUCFWMMXPBHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)7-15(19)16-9-12-8-13(17-11(3)18)5-6-14(12)20-4/h5-6,8,10H,7,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide?
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 278.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 110784111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).