3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide

C23H32N4O2 — CID 47041410

IUPAC3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)N(CCc1ccccc1)CCN(C)C
InChIInChI=1S/C23H32N4O2/c1-18-11-12-20(22(28)26(4)5)17-21(18)24-23(29)27(16-15-25(2)3)14-13-19-9-7-6-8-10-19/h6-12,17H,13-16H2,1-5H3,(H,24,29)
InChIKeyWEDVBMPIKYUKJL-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.34
Rot. Bonds8

About 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide

3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide (PubChem CID 47041410) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide
PubChem CID47041410
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)N(CCc1ccccc1)CCN(C)C
InChIInChI=1S/C23H32N4O2/c1-18-11-12-20(22(28)26(4)5)17-21(18)24-23(29)27(16-15-25(2)3)14-13-19-9-7-6-8-10-19/h6-12,17H,13-16H2,1-5H3,(H,24,29)
InChIKeyWEDVBMPIKYUKJL-UHFFFAOYSA-N
XLogP3.34
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60543557
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
3-(dimethylcarbamoylamino)-4-methylbenzoic acid
CID 61196836
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
1,1,3-tris(2-phenylethyl)urea
CID 123287811
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-ethyl-4-fluoro-3-methyl-N-(2-phenylethyl)benzamide
CID 63213317
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride
CID 120608927
1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea
CID 47081834
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide (CID 47041410) is 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1NC(=O)N(CCc1ccccc1)CCN(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide?
The InChIKey is WEDVBMPIKYUKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18-11-12-20(22(28)26(4)5)17-21(18)24-23(29)27(16-15-25(2)3)14-13-19-9-7-6-8-10-19/h6-12,17H,13-16H2,1-5H3,(H,24,29).
What are the key properties of 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide?
3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide has a molecular weight of 396.54 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 47041410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).