2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid

C15H19NO3 — CID 169452019

IUPAC2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid
SMILESCCN(CC)C(=O)c1cccc(C(=O)O)c1C1CC1
InChIInChI=1S/C15H19NO3/c1-3-16(4-2)14(17)11-6-5-7-12(15(18)19)13(11)10-8-9-10/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeySHHUPTMDPGVECR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.74
Rot. Bonds5

About 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid

2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid (PubChem CID 169452019) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid
PubChem CID169452019
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid
SMILESCCN(CC)C(=O)c1cccc(C(=O)O)c1C1CC1
InChIInChI=1S/C15H19NO3/c1-3-16(4-2)14(17)11-6-5-7-12(15(18)19)13(11)10-8-9-10/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeySHHUPTMDPGVECR-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400204
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
2-cyclohexyl-3-hydroxybenzoic acid
CID 141251925
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
CID 59369605
CID 59369605
N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489161
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2,3-bis(4-hydroxycyclohexyl)terephthalic acid
CID 67893877

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid?
The IUPAC name of 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid (CID 169452019) is 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid is CCN(CC)C(=O)c1cccc(C(=O)O)c1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid?
The InChIKey is SHHUPTMDPGVECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-16(4-2)14(17)11-6-5-7-12(15(18)19)13(11)10-8-9-10/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid?
2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(diethylcarbamoyl)benzoic acid is sourced from PubChem (CID 169452019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).