1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide

C22H29N3O2 — CID 119440330

IUPAC1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-5-23-14-18-8-6-7-9-19(18)25-21(27)17-12-10-16(11-13-17)20(26)24-15-22(2,3)4/h6-13,23H,5,14-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyHHRKETRBXXLIRK-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.82
Rot. Bonds7

About 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide

1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 119440330) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
PubChem CID119440330
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-5-23-14-18-8-6-7-9-19(18)25-21(27)17-12-10-16(11-13-17)20(26)24-15-22(2,3)4/h6-13,23H,5,14-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyHHRKETRBXXLIRK-UHFFFAOYSA-N
XLogP3.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
CID 43602424
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
4-ethyl-N-[2-(ethylaminomethyl)phenyl]-3-nitrobenzamide
CID 119440638
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide (CID 119440330) is 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide is CCNCc1ccccc1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.
What is the InChIKey of 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is HHRKETRBXXLIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-23-14-18-8-6-7-9-19(18)25-21(27)17-12-10-16(11-13-17)20(26)24-15-22(2,3)4/h6-13,23H,5,14-15H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide?
1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 119440330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).