N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide

C18H22N2O3 — CID 46735867

IUPACN-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1
InChIInChI=1S/C18H22N2O3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-16-11-14(19)7-10-17(16)22-3/h5-12H,4,19H2,1-3H3,(H,20,21)
InChIKeyQWPIDDMDGYOUSY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.71
Rot. Bonds6

About N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide

N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide (PubChem CID 46735867) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide
PubChem CID46735867
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1
InChIInChI=1S/C18H22N2O3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-16-11-14(19)7-10-17(16)22-3/h5-12H,4,19H2,1-3H3,(H,20,21)
InChIKeyQWPIDDMDGYOUSY-UHFFFAOYSA-N
XLogP3.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 17141512
4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28672946
N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide
CID 40625135
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
methyl 2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4231793
N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
CID 16774665
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(4-amino-2-methoxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 54852698

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide (CID 46735867) is N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide is CCC(C)Oc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide?
The InChIKey is QWPIDDMDGYOUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-16-11-14(19)7-10-17(16)22-3/h5-12H,4,19H2,1-3H3,(H,20,21).
What are the key properties of N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide?
N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide has a molecular weight of 314.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide is sourced from PubChem (CID 46735867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).