3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide

C22H30N4O3 — CID 60543557

IUPAC3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)N(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C22H30N4O3/c1-24(2)13-14-26(16-17-9-7-6-8-10-17)22(28)23-19-15-18(21(27)25(3)4)11-12-20(19)29-5/h6-12,15H,13-14,16H2,1-5H3,(H,23,28)
InChIKeyXLPMHUYOFZSOEJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.99
Rot. Bonds8

About 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide

3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide (PubChem CID 60543557) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide
PubChem CID60543557
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)N(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C22H30N4O3/c1-24(2)13-14-26(16-17-9-7-6-8-10-17)22(28)23-19-15-18(21(27)25(3)4)11-12-20(19)29-5/h6-12,15H,13-14,16H2,1-5H3,(H,23,28)
InChIKeyXLPMHUYOFZSOEJ-UHFFFAOYSA-N
XLogP2.99
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(dimethylamino)ethyl-(2-phenylethyl)carbamoyl]amino]-N,N,4-trimethylbenzamide
CID 47041410
1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577554
N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
methyl 3-[[benzyl(propyl)carbamoyl]amino]-4-propan-2-yloxybenzoate
CID 60602791
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692
4-methoxy-N,N-dimethyl-3-[(3-methyl-2-phenylpentanoyl)amino]benzamide
CID 60537571
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide (CID 60543557) is 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)N(CCN(C)C)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide?
The InChIKey is XLPMHUYOFZSOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-24(2)13-14-26(16-17-9-7-6-8-10-17)22(28)23-19-15-18(21(27)25(3)4)11-12-20(19)29-5/h6-12,15H,13-14,16H2,1-5H3,(H,23,28).
What are the key properties of 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide?
3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide has a molecular weight of 398.51 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 60543557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).