2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid

C15H22N2O3 — CID 61185339

IUPAC2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid
SMILESCCCCN(CC)C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-6-11-17(5-2)15(20)16(3)13-10-8-7-9-12(13)14(18)19/h7-10H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyKFYQXMFTSJJLHT-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.06
Rot. Bonds6

About 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid

2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid (PubChem CID 61185339) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid
PubChem CID61185339
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid
SMILESCCCCN(CC)C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-6-11-17(5-2)15(20)16(3)13-10-8-7-9-12(13)14(18)19/h7-10H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyKFYQXMFTSJJLHT-UHFFFAOYSA-N
XLogP3.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid
CID 63691296
2-[butyl(carboxy)amino]benzoic acid
CID 69470205
2-[butyl-[2-(N-butyl-2-carboxyanilino)ethyl]amino]benzoic acid
CID 13212636
2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid
CID 61196584
2-(N-butylanilino)benzoic acid
CID 64586364
2-[methyl(octyl)amino]benzoic acid
CID 21437831
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
2-[methyl-[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 113498695
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
3-bromo-2-[[butyl(ethyl)carbamoyl]amino]benzoic acid
CID 63113130
2-[2-(dibutylamino)benzoyl]benzoic acid
CID 23182045
2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
CID 62636872

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid?
The IUPAC name of 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid (CID 61185339) is 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid.
What is the SMILES notation for 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid?
The canonical SMILES for 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid is CCCCN(CC)C(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid?
The InChIKey is KFYQXMFTSJJLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-6-11-17(5-2)15(20)16(3)13-10-8-7-9-12(13)14(18)19/h7-10H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid?
2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid is sourced from PubChem (CID 61185339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).