4-[ethyl(propyl)carbamoyl]benzoic acid

C13H17NO3 — CID 43452972

IUPAC4-[ethyl(propyl)carbamoyl]benzoic acid
SMILESCCCN(CC)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H17NO3/c1-3-9-14(4-2)12(15)10-5-7-11(8-6-10)13(16)17/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyKQFNMRFNBZSYTR-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.26
Rot. Bonds5

About 4-[ethyl(propyl)carbamoyl]benzoic acid

4-[ethyl(propyl)carbamoyl]benzoic acid (PubChem CID 43452972) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-[ethyl(propyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[ethyl(propyl)carbamoyl]benzoic acid
PubChem CID43452972
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-[ethyl(propyl)carbamoyl]benzoic acid
SMILESCCCN(CC)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H17NO3/c1-3-9-14(4-2)12(15)10-5-7-11(8-6-10)13(16)17/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyKQFNMRFNBZSYTR-UHFFFAOYSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
N-ethyl-4-nitro-N-propylbenzamide
CID 91720925
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
4-[[[ethyl(propyl)carbamoyl]-methylamino]methyl]benzoic acid
CID 61194167
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522
6-amino-N-ethyl-N-propylpyridine-3-carboxamide
CID 62153905
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
CID 66463470
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[ethyl(propyl)carbamoyl]benzoic acid (CID 43452972) is 4-[ethyl(propyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[ethyl(propyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[ethyl(propyl)carbamoyl]benzoic acid is CCCN(CC)C(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[ethyl(propyl)carbamoyl]benzoic acid?
The InChIKey is KQFNMRFNBZSYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-9-14(4-2)12(15)10-5-7-11(8-6-10)13(16)17/h5-8H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of 4-[ethyl(propyl)carbamoyl]benzoic acid?
4-[ethyl(propyl)carbamoyl]benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43452972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).