5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid

C20H31NO5 — CID 19000995

IUPAC5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid
SMILESCCCCCCCCCCCCOC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C20H31NO5/c1-2-3-4-5-6-7-8-9-10-11-14-26-20(25)21-16-12-13-18(22)17(15-16)19(23)24/h12-13,15,22H,2-11,14H2,1H3,(H,21,25)(H,23,24)
InChIKeyRKPNPUHYGZGHDZ-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.56
Rot. Bonds13

About 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid

5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid (PubChem CID 19000995) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid
PubChem CID19000995
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Name5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid
SMILESCCCCCCCCCCCCOC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C20H31NO5/c1-2-3-4-5-6-7-8-9-10-11-14-26-20(25)21-16-12-13-18(22)17(15-16)19(23)24/h12-13,15,22H,2-11,14H2,1H3,(H,21,25)(H,23,24)
InChIKeyRKPNPUHYGZGHDZ-UHFFFAOYSA-N
XLogP5.56
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
sodium 2-hydroxy-4-(octoxycarbonylamino)benzoate
CID 139688580
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
4-(pentoxycarbonylamino)-2-pentoxycarbonyloxybenzoic acid
CID 139741099
5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid
CID 152557915
octyl N-(3,4,5-trihydroxyphenyl)carbamate
CID 11044693
dodecyl N-phenylcarbamate
CID 521818
2-hydroxy-5-(2-prop-2-enoyloxyethoxycarbonylamino)benzoic acid
CID 59042097
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
3-(decoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000845
5-hexoxy-2-hydroxybenzoic acid
CID 19036724

Frequently Asked Questions

What is the IUPAC name of 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid (CID 19000995) is 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid is CCCCCCCCCCCCOC(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid?
The InChIKey is RKPNPUHYGZGHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-2-3-4-5-6-7-8-9-10-11-14-26-20(25)21-16-12-13-18(22)17(15-16)19(23)24/h12-13,15,22H,2-11,14H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid?
5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid has a molecular weight of 365.47 g/mol, XLogP of 5.56, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 19000995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).