2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide

C22H30N4O2 — CID 60577554

IUPAC2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1CC(=O)N(C)C
InChIInChI=1S/C22H30N4O2/c1-24(2)14-15-26(17-18-10-6-5-7-11-18)22(28)23-20-13-9-8-12-19(20)16-21(27)25(3)4/h5-13H,14-17H2,1-4H3,(H,23,28)
InChIKeyYJBJXLOFPFFKGD-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.91
Rot. Bonds8

About 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide

2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide (PubChem CID 60577554) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
PubChem CID60577554
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1CC(=O)N(C)C
InChIInChI=1S/C22H30N4O2/c1-24(2)14-15-26(17-18-10-6-5-7-11-18)22(28)23-20-13-9-8-12-19(20)16-21(27)25(3)4/h5-13H,14-17H2,1-4H3,(H,23,28)
InChIKeyYJBJXLOFPFFKGD-UHFFFAOYSA-N
XLogP2.91
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692
1-benzyl-1-(2-hydroxyethyl)-3-(2-propylphenyl)urea
CID 110896766
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
3-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]sulfanylpropanamide
CID 56587087
3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60543557
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
2-[2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577453
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea
CID 78894452
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea
CID 111117127

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide (CID 60577554) is 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide is CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1CC(=O)N(C)C.
What is the InChIKey of 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is YJBJXLOFPFFKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24(2)14-15-26(17-18-10-6-5-7-11-18)22(28)23-20-13-9-8-12-19(20)16-21(27)25(3)4/h5-13H,14-17H2,1-4H3,(H,23,28).
What are the key properties of 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 382.51 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 60577554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).