3-(decoxycarbonylamino)-2-hydroxybenzoic acid

C18H27NO5 — CID 19000845

IUPAC3-(decoxycarbonylamino)-2-hydroxybenzoic acid
SMILESCCCCCCCCCCOC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C18H27NO5/c1-2-3-4-5-6-7-8-9-13-24-18(23)19-15-12-10-11-14(16(15)20)17(21)22/h10-12,20H,2-9,13H2,1H3,(H,19,23)(H,21,22)
InChIKeyNMHKDVKPXXYRCN-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.78
Rot. Bonds11

About 3-(decoxycarbonylamino)-2-hydroxybenzoic acid

3-(decoxycarbonylamino)-2-hydroxybenzoic acid (PubChem CID 19000845) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(decoxycarbonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(decoxycarbonylamino)-2-hydroxybenzoic acid
PubChem CID19000845
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name3-(decoxycarbonylamino)-2-hydroxybenzoic acid
SMILESCCCCCCCCCCOC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C18H27NO5/c1-2-3-4-5-6-7-8-9-13-24-18(23)19-15-12-10-11-14(16(15)20)17(21)22/h10-12,20H,2-9,13H2,1H3,(H,19,23)(H,21,22)
InChIKeyNMHKDVKPXXYRCN-UHFFFAOYSA-N
XLogP4.78
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(7-chloroheptoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000977
hexyl N-(3-chloro-2-hydroxyphenyl)carbamate
CID 69009032
methyl 3-(butoxycarbonylamino)-2-hydroxybenzoate
CID 108745812
2-hydroxy-3-(nonanoylamino)benzoic acid
CID 104832987
methyl 2-(hexadecoxycarbonylamino)-6-hydroxybenzoate
CID 139715263
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
dodecyl N-phenylcarbamate
CID 521818
2-hydroxy-3-[(4-methylphenyl)methoxycarbonylamino]benzoic acid
CID 19000800
5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000995
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236

Frequently Asked Questions

What is the IUPAC name of 3-(decoxycarbonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 3-(decoxycarbonylamino)-2-hydroxybenzoic acid (CID 19000845) is 3-(decoxycarbonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(decoxycarbonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(decoxycarbonylamino)-2-hydroxybenzoic acid is CCCCCCCCCCOC(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-(decoxycarbonylamino)-2-hydroxybenzoic acid?
The InChIKey is NMHKDVKPXXYRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-2-3-4-5-6-7-8-9-13-24-18(23)19-15-12-10-11-14(16(15)20)17(21)22/h10-12,20H,2-9,13H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-(decoxycarbonylamino)-2-hydroxybenzoic acid?
3-(decoxycarbonylamino)-2-hydroxybenzoic acid has a molecular weight of 337.42 g/mol, XLogP of 4.78, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(decoxycarbonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 19000845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).