3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid

C15H23N3O3 — CID 61192307

IUPAC3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid
SMILESCN(C)CC(C)(C)CNC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-15(2,10-18(3)4)9-16-14(21)17-12-7-5-6-11(8-12)13(19)20/h5-8H,9-10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyUAUVAHASZKHCOY-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.09
Rot. Bonds6

About 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid

3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid (PubChem CID 61192307) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid
PubChem CID61192307
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid
SMILESCN(C)CC(C)(C)CNC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-15(2,10-18(3)4)9-16-14(21)17-12-7-5-6-11(8-12)13(19)20/h5-8H,9-10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyUAUVAHASZKHCOY-UHFFFAOYSA-N
XLogP2.09
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,3-trimethylbutylcarbamoylamino)benzoic acid
CID 83144469
1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea
CID 104625314
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61341241
3-[3-(methylamino)propylcarbamoylamino]benzoic acid
CID 61404161
1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea
CID 103839105
3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid
CID 61192540
3-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoic acid
CID 63679590
3-[[3-(dimethylamino)phenyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428993
3-[2-(methanesulfonamido)ethylcarbamoylamino]benzoic acid
CID 61192316
1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea
CID 146169849
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 28572661
1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 164665723

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid?
The IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid (CID 61192307) is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid?
The canonical SMILES for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid is CN(C)CC(C)(C)CNC(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid?
The InChIKey is UAUVAHASZKHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,10-18(3)4)9-16-14(21)17-12-7-5-6-11(8-12)13(19)20/h5-8H,9-10H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid?
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 61192307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).