2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid

C14H21N3O3 — CID 62636872

IUPAC2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
SMILESCCN(C)CCNC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-16(2)10-9-15-14(20)17(3)12-8-6-5-7-11(12)13(18)19/h5-8H,4,9-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyHPZYOLKIAADODU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.48
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid

2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid (PubChem CID 62636872) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
PubChem CID62636872
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
SMILESCCN(C)CCNC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-16(2)10-9-15-14(20)17(3)12-8-6-5-7-11(12)13(18)19/h5-8H,4,9-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyHPZYOLKIAADODU-UHFFFAOYSA-N
XLogP1.48
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid
CID 82940320
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid
CID 62057527
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
3-bromo-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63113630
2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid
CID 61185339
2-[methyl(pent-1-yn-3-ylcarbamoyl)amino]benzoic acid
CID 114161590
3-butyl-1-(2-hydroxyphenyl)-1-methylurea
CID 14025265
2-[methyl-[(1-methylpiperidin-4-yl)carbamoyl]amino]benzoic acid
CID 61198603
2-amino-3-[2-[ethyl(methyl)amino]ethylamino]benzoic acid
CID 115545898
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid (CID 62636872) is 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid is CCN(C)CCNC(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid?
The InChIKey is HPZYOLKIAADODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-16(2)10-9-15-14(20)17(3)12-8-6-5-7-11(12)13(18)19/h5-8H,4,9-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid?
2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid is sourced from PubChem (CID 62636872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).