N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide

C22H28N2O3 — CID 17194593

IUPACN,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-5-24(6-2)22(26)18-8-7-9-19(14-18)23-21(25)17-10-12-20(13-11-17)27-15-16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,25)
InChIKeyAYSAGHZKWVGYFJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.46
Rot. Bonds8

About N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide

N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (PubChem CID 17194593) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
PubChem CID17194593
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-5-24(6-2)22(26)18-8-7-9-19(14-18)23-21(25)17-10-12-20(13-11-17)27-15-16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,25)
InChIKeyAYSAGHZKWVGYFJ-UHFFFAOYSA-N
XLogP4.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
N,N-diethyl-3-[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17194936
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 26162487
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide
CID 43877291
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (CID 17194593) is N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1.
What is the InChIKey of N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The InChIKey is AYSAGHZKWVGYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-24(6-2)22(26)18-8-7-9-19(14-18)23-21(25)17-10-12-20(13-11-17)27-15-16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,23,25).
What are the key properties of N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17194593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).