N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide

C22H30N4O2 — CID 119041522

IUPACN-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
SMILESCCc1ccc(CNC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C22H30N4O2/c1-4-17-8-10-18(11-9-17)15-24-22(28)25-16-19-6-5-7-20(14-19)21(27)23-12-13-26(2)3/h5-11,14H,4,12-13,15-16H2,1-3H3,(H,23,27)(H2,24,25,28)
InChIKeyBGMQTVKZDOOAQV-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.54
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide

N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide (PubChem CID 119041522) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
PubChem CID119041522
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
SMILESCCc1ccc(CNC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C22H30N4O2/c1-4-17-8-10-18(11-9-17)15-24-22(28)25-16-19-6-5-7-20(14-19)21(27)23-12-13-26(2)3/h5-11,14H,4,12-13,15-16H2,1-3H3,(H,23,27)(H2,24,25,28)
InChIKeyBGMQTVKZDOOAQV-UHFFFAOYSA-N
XLogP2.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393
N-[2-(dimethylamino)ethyl]-3-[[(3-propan-2-yloxyphenyl)methylcarbamoylamino]methyl]benzamide
CID 86884508
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N-[2-(dimethylamino)ethyl]-3-[[(N'-methylcarbamimidoyl)amino]methyl]benzamide
CID 110935106
3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 119110720
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722
N-[2-(dimethylamino)ethyl]-3-[[4-(methylamino)butanoylamino]methyl]benzamide;dihydrochloride
CID 119867704
N-[2-(dimethylamino)ethyl]-3-[[(N'-methyl-N-pentylcarbamimidoyl)amino]methyl]benzamide
CID 111128769
3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 120565109
N-[2-(dimethylamino)ethyl]-3-[[[ethylamino-[(4-fluorophenyl)methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111233342
3-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;hydroiodide
CID 110950795

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide (CID 119041522) is N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide is CCc1ccc(CNC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide?
The InChIKey is BGMQTVKZDOOAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-17-8-10-18(11-9-17)15-24-22(28)25-16-19-6-5-7-20(14-19)21(27)23-12-13-26(2)3/h5-11,14H,4,12-13,15-16H2,1-3H3,(H,23,27)(H2,24,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide is sourced from PubChem (CID 119041522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).