N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide

C18H20N4O4 — CID 55823894

IUPACN-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCN(C)C(=O)COc1cccc(C(=O)Nc2cccc(NC(N)=O)c2)c1
InChIInChI=1S/C18H20N4O4/c1-22(2)16(23)11-26-15-8-3-5-12(9-15)17(24)20-13-6-4-7-14(10-13)21-18(19)25/h3-10H,11H2,1-2H3,(H,20,24)(H3,19,21,25)
InChIKeyRTHGPELGGSTXHB-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.90
Rot. Bonds6

About N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide

N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide (PubChem CID 55823894) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
PubChem CID55823894
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCN(C)C(=O)COc1cccc(C(=O)Nc2cccc(NC(N)=O)c2)c1
InChIInChI=1S/C18H20N4O4/c1-22(2)16(23)11-26-15-8-3-5-12(9-15)17(24)20-13-6-4-7-14(10-13)21-18(19)25/h3-10H,11H2,1-2H3,(H,20,24)(H3,19,21,25)
InChIKeyRTHGPELGGSTXHB-UHFFFAOYSA-N
XLogP1.90
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775627
3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55892925
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
CID 35704432
N-(2-benzylphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55771324
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 30860583
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119713905
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide (CID 55823894) is N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide is CN(C)C(=O)COc1cccc(C(=O)Nc2cccc(NC(N)=O)c2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The InChIKey is RTHGPELGGSTXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-22(2)16(23)11-26-15-8-3-5-12(9-15)17(24)20-13-6-4-7-14(10-13)21-18(19)25/h3-10H,11H2,1-2H3,(H,20,24)(H3,19,21,25).
What are the key properties of N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide has a molecular weight of 356.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55823894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).