N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide

C22H28N2O3 — CID 17201290

IUPACN-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-5-16(4)23-21(25)17-6-10-19(11-7-17)24-22(26)18-8-12-20(13-9-18)27-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCSLLTYKVLPSXKB-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.50
Rot. Bonds8

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

N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (PubChem CID 17201290) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
PubChem CID17201290
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-5-16(4)23-21(25)17-6-10-19(11-7-17)24-22(26)18-8-12-20(13-9-18)27-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCSLLTYKVLPSXKB-UHFFFAOYSA-N
XLogP4.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (CID 17201290) is N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is CCC(C)NC(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The InChIKey is CSLLTYKVLPSXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-16(4)23-21(25)17-6-10-19(11-7-17)24-22(26)18-8-12-20(13-9-18)27-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17201290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).