N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide

C13H17NO3 — CID 114343927

IUPACN-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(O)c1O)C1CC1
InChIInChI=1S/C13H17NO3/c1-2-8-14(9-6-7-9)13(17)10-4-3-5-11(15)12(10)16/h3-5,9,15-16H,2,6-8H2,1H3
InChIKeyBLHZKLJIZWTNCO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.11
Rot. Bonds4

About N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide

N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide (PubChem CID 114343927) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
PubChem CID114343927
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(O)c1O)C1CC1
InChIInChI=1S/C13H17NO3/c1-2-8-14(9-6-7-9)13(17)10-4-3-5-11(15)12(10)16/h3-5,9,15-16H,2,6-8H2,1H3
InChIKeyBLHZKLJIZWTNCO-UHFFFAOYSA-N
XLogP2.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-propyl-2-sulfanylbenzamide
CID 107022431
2-[cyclopropyl-(2,3-dihydroxybenzoyl)amino]acetic acid
CID 114343291
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 66184160
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
N-cyclopropyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 43576768
N-cyclopropyl-2-hydroxy-N-(2-methoxyethyl)-3-methylbenzamide
CID 60794549
N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide
CID 81265864
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816410
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide?
The IUPAC name of N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide (CID 114343927) is N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide.
What is the SMILES notation for N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide?
The canonical SMILES for N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide is CCCN(C(=O)c1cccc(O)c1O)C1CC1.
What is the InChIKey of N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide?
The InChIKey is BLHZKLJIZWTNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-8-14(9-6-7-9)13(17)10-4-3-5-11(15)12(10)16/h3-5,9,15-16H,2,6-8H2,1H3.
What are the key properties of N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide?
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide has a molecular weight of 235.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide is sourced from PubChem (CID 114343927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).