3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide

C23H32N4O2 — CID 86993613

IUPAC3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)NCc2ccc(CN(CC)CC)cc2)c1
InChIInChI=1S/C23H32N4O2/c1-5-24-22(28)20-13-8-17(4)21(14-20)26-23(29)25-15-18-9-11-19(12-10-18)16-27(6-2)7-3/h8-14H,5-7,15-16H2,1-4H3,(H,24,28)(H2,25,26,29)
InChIKeyKYEUHFWBSNEGQN-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.91
Rot. Bonds9

About 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide

3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide (PubChem CID 86993613) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide
PubChem CID86993613
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)NCc2ccc(CN(CC)CC)cc2)c1
InChIInChI=1S/C23H32N4O2/c1-5-24-22(28)20-13-8-17(4)21(14-20)26-23(29)25-15-18-9-11-19(12-10-18)16-27(6-2)7-3/h8-14H,5-7,15-16H2,1-4H3,(H,24,28)(H2,25,26,29)
InChIKeyKYEUHFWBSNEGQN-UHFFFAOYSA-N
XLogP3.91
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655
1-(2-cyano-4-fluorophenyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]urea
CID 78839329
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 86988845
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide (CID 86993613) is 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)NCc2ccc(CN(CC)CC)cc2)c1.
What is the InChIKey of 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide?
The InChIKey is KYEUHFWBSNEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-24-22(28)20-13-8-17(4)21(14-20)26-23(29)25-15-18-9-11-19(12-10-18)16-27(6-2)7-3/h8-14H,5-7,15-16H2,1-4H3,(H,24,28)(H2,25,26,29).
What are the key properties of 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide?
3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide has a molecular weight of 396.54 g/mol, XLogP of 3.91, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 86993613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).