4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide

C18H20N2O3 — CID 2994766

IUPAC4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)11-23-16-9-5-14(6-10-16)18(22)20-15-7-3-13(4-8-15)17(19)21/h3-10,12H,11H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyDVHGNUJXQFSVCY-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.07
Rot. Bonds6

About 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide

4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (PubChem CID 2994766) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
PubChem CID2994766
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)11-23-16-9-5-14(6-10-16)18(22)20-15-7-3-13(4-8-15)17(19)21/h3-10,12H,11H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyDVHGNUJXQFSVCY-UHFFFAOYSA-N
XLogP3.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2995862
N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
CID 54787953
N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The IUPAC name of 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (CID 2994766) is 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.
What is the SMILES notation for 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The canonical SMILES for 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is CC(C)COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The InChIKey is DVHGNUJXQFSVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)11-23-16-9-5-14(6-10-16)18(22)20-15-7-3-13(4-8-15)17(19)21/h3-10,12H,11H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 2994766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).