2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide

C13H19NO3 — CID 107689064

IUPAC2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1c(O)cccc1O)C(C)C
InChIInChI=1S/C13H19NO3/c1-4-8-14(9(2)3)13(17)12-10(15)6-5-7-11(12)16/h5-7,9,15-16H,4,8H2,1-3H3
InChIKeyJBVUNXOCNIRLRR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds4

About 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide

2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide (PubChem CID 107689064) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide
PubChem CID107689064
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1c(O)cccc1O)C(C)C
InChIInChI=1S/C13H19NO3/c1-4-8-14(9(2)3)13(17)12-10(15)6-5-7-11(12)16/h5-7,9,15-16H,4,8H2,1-3H3
InChIKeyJBVUNXOCNIRLRR-UHFFFAOYSA-N
XLogP2.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107689061
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107690844
2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide
CID 63659127
3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 60923482
N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 43269913
N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
CID 107689068
N-(2-aminopropyl)-2,6-dihydroxy-N-methylbenzamide
CID 107691371
4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
CID 43269463
4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
CID 43269726
3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 43269658

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide (CID 107689064) is 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1c(O)cccc1O)C(C)C.
What is the InChIKey of 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide?
The InChIKey is JBVUNXOCNIRLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-8-14(9(2)3)13(17)12-10(15)6-5-7-11(12)16/h5-7,9,15-16H,4,8H2,1-3H3.
What are the key properties of 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide?
2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 107689064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).