2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid

C16H23NO3 — CID 102903651

IUPAC2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid
SMILESCC(C)C(CNC(=O)c1ccccc1C(=O)O)C(C)C
InChIInChI=1S/C16H23NO3/c1-10(2)14(11(3)4)9-17-15(18)12-7-5-6-8-13(12)16(19)20/h5-8,10-11,14H,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyFUWRSWZJGRMHJK-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.04
Rot. Bonds6

About 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid

2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid (PubChem CID 102903651) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid
PubChem CID102903651
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid
SMILESCC(C)C(CNC(=O)c1ccccc1C(=O)O)C(C)C
InChIInChI=1S/C16H23NO3/c1-10(2)14(11(3)4)9-17-15(18)12-7-5-6-8-13(12)16(19)20/h5-8,10-11,14H,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyFUWRSWZJGRMHJK-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65034048
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2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid
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2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
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2-[[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 146209918
2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559
2-(acetamidomethylcarbamoyl)benzoic acid
CID 170089570
2-(trimethylsilylmethylcarbamoyl)benzoic acid
CID 59089159
5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid
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2-[2-(2-ethylbutanoylamino)ethylcarbamoyl]benzoic acid
CID 113083346

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid (CID 102903651) is 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid is CC(C)C(CNC(=O)c1ccccc1C(=O)O)C(C)C.
What is the InChIKey of 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid?
The InChIKey is FUWRSWZJGRMHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)14(11(3)4)9-17-15(18)12-7-5-6-8-13(12)16(19)20/h5-8,10-11,14H,9H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid?
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid is sourced from PubChem (CID 102903651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).