N-methoxy-4-(2-methylphenyl)butanamide

C12H17NO2 — CID 110611839

IUPACN-methoxy-4-(2-methylphenyl)butanamide
SMILESCONC(=O)CCCc1ccccc1C
InChIInChI=1S/C12H17NO2/c1-10-6-3-4-7-11(10)8-5-9-12(14)13-15-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyBTDWBLINQVOKEN-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.00
Rot. Bonds5

About N-methoxy-4-(2-methylphenyl)butanamide

N-methoxy-4-(2-methylphenyl)butanamide (PubChem CID 110611839) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methoxy-4-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-methoxy-4-(2-methylphenyl)butanamide
PubChem CID110611839
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methoxy-4-(2-methylphenyl)butanamide
SMILESCONC(=O)CCCc1ccccc1C
InChIInChI=1S/C12H17NO2/c1-10-6-3-4-7-11(10)8-5-9-12(14)13-15-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyBTDWBLINQVOKEN-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
4-(2-methylphenyl)butanamide
CID 22103596
N-ethoxy-3-(2-methylphenyl)propanamide
CID 63290155
N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide
CID 115273765
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
CID 115271407
3-(2-methylphenyl)propyl hydrogen carbonate
CID 150352132
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
4-(2-methylphenyl)butyl acetate
CID 145430143
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110607579

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-(2-methylphenyl)butanamide?
The IUPAC name of N-methoxy-4-(2-methylphenyl)butanamide (CID 110611839) is N-methoxy-4-(2-methylphenyl)butanamide.
What is the SMILES notation for N-methoxy-4-(2-methylphenyl)butanamide?
The canonical SMILES for N-methoxy-4-(2-methylphenyl)butanamide is CONC(=O)CCCc1ccccc1C.
What is the InChIKey of N-methoxy-4-(2-methylphenyl)butanamide?
The InChIKey is BTDWBLINQVOKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-6-3-4-7-11(10)8-5-9-12(14)13-15-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-methoxy-4-(2-methylphenyl)butanamide?
N-methoxy-4-(2-methylphenyl)butanamide has a molecular weight of 207.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-(2-methylphenyl)butanamide is sourced from PubChem (CID 110611839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).