N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C23H28N4O2 — CID 55793957

IUPACN-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCC(C)C(CNC(=O)c1ccc(OCc2nccn2C)cc1)Nc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-17(2)21(26-19-7-5-4-6-8-19)15-25-23(28)18-9-11-20(12-10-18)29-16-22-24-13-14-27(22)3/h4-14,17,21,26H,15-16H2,1-3H3,(H,25,28)
InChIKeySSEYMMGPPFHZDQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.87
Rot. Bonds9

About N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55793957) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55793957
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCC(C)C(CNC(=O)c1ccc(OCc2nccn2C)cc1)Nc1ccccc1
InChIInChI=1S/C23H28N4O2/c1-17(2)21(26-19-7-5-4-6-8-19)15-25-23(28)18-9-11-20(12-10-18)29-16-22-24-13-14-27(22)3/h4-14,17,21,26H,15-16H2,1-3H3,(H,25,28)
InChIKeySSEYMMGPPFHZDQ-UHFFFAOYSA-N
XLogP3.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336
methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate
CID 55736473
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55786680
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 78886445
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55791150
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
N-(2-anilino-3-methylbutyl)furan-3-carboxamide
CID 47142406

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55793957) is N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide is CC(C)C(CNC(=O)c1ccc(OCc2nccn2C)cc1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is SSEYMMGPPFHZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17(2)21(26-19-7-5-4-6-8-19)15-25-23(28)18-9-11-20(12-10-18)29-16-22-24-13-14-27(22)3/h4-14,17,21,26H,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55793957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).