2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid

C14H20N2O4 — CID 115412057

IUPAC2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
SMILESCCCN(CC)C(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-8-16(5-2)14(19)15-12-7-6-10(20-3)9-11(12)13(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLKIGNJTUVNUAHE-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.66
Rot. Bonds6

About 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid

2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid (PubChem CID 115412057) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
PubChem CID115412057
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
SMILESCCCN(CC)C(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-8-16(5-2)14(19)15-12-7-6-10(20-3)9-11(12)13(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLKIGNJTUVNUAHE-UHFFFAOYSA-N
XLogP2.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
2-(dipropylcarbamoylamino)-5-methylbenzoic acid
CID 61183221
1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea
CID 118773614
2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 55129490
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63111388
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
2-(hexan-3-ylcarbamoylamino)-5-methoxybenzoic acid
CID 115412229

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid (CID 115412057) is 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid is CCCN(CC)C(=O)Nc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid?
The InChIKey is LKIGNJTUVNUAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-8-16(5-2)14(19)15-12-7-6-10(20-3)9-11(12)13(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid?
2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid is sourced from PubChem (CID 115412057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).