N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide

C21H27N3O3 — CID 4677770

IUPACN-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)15-14-22-20(25)16-6-10-18(11-7-16)23-21(26)17-8-12-19(27-3)13-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyLPJFTPBPFFZIQJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.02
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide

N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 4677770) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
PubChem CID4677770
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)15-14-22-20(25)16-6-10-18(11-7-16)23-21(26)17-8-12-19(27-3)13-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyLPJFTPBPFFZIQJ-UHFFFAOYSA-N
XLogP3.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide
CID 84569140
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide (CID 4677770) is N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is LPJFTPBPFFZIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-24(5-2)15-14-22-20(25)16-6-10-18(11-7-16)23-21(26)17-8-12-19(27-3)13-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 4677770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).