4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide

C22H29N3O2 — CID 55695542

IUPAC4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)NC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-6-25(7-2)21(26)18-10-12-19(13-11-18)24-22(27)23-17(5)20-14-15(3)8-9-16(20)4/h8-14,17H,6-7H2,1-5H3,(H2,23,24,27)
InChIKeyKZTIMGIELUXKHI-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.67
Rot. Bonds6

About 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide

4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide (PubChem CID 55695542) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide
PubChem CID55695542
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)NC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-6-25(7-2)21(26)18-10-12-19(13-11-18)24-22(27)23-17(5)20-14-15(3)8-9-16(20)4/h8-14,17H,6-7H2,1-5H3,(H2,23,24,27)
InChIKeyKZTIMGIELUXKHI-UHFFFAOYSA-N
XLogP4.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 55773882
N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide
CID 8684090
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542973
N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide
CID 112793726
N,N-diethyl-4-[[(2R,3R)-2-hydroxy-3-methylpentyl]carbamoylamino]benzamide
CID 95353394
1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
CID 94841865
4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide
CID 8503741
N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34317120
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide?
The IUPAC name of 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide (CID 55695542) is 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)NC(C)c2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide?
The InChIKey is KZTIMGIELUXKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-25(7-2)21(26)18-10-12-19(13-11-18)24-22(27)23-17(5)20-14-15(3)8-9-16(20)4/h8-14,17H,6-7H2,1-5H3,(H2,23,24,27).
What are the key properties of 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide?
4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 55695542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).