N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide

C14H17NO3 — CID 113355829

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
SMILESO=C(NCC1(C2CC2)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H17NO3/c16-11-5-9(6-12(17)7-11)13(18)15-8-14(3-4-14)10-1-2-10/h5-7,10,16-17H,1-4,8H2,(H,15,18)
InChIKeyUYVJNLSCUIUNMN-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.02
Rot. Bonds4

About N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide

N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide (PubChem CID 113355829) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
PubChem CID113355829
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
SMILESO=C(NCC1(C2CC2)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H17NO3/c16-11-5-9(6-12(17)7-11)13(18)15-8-14(3-4-14)10-1-2-10/h5-7,10,16-17H,1-4,8H2,(H,15,18)
InChIKeyUYVJNLSCUIUNMN-UHFFFAOYSA-N
XLogP2.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114095261
3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114096121
3,5-dihydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 104939117
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045
3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
CID 104939154
4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103839298
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056076
2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide
CID 103839382

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide (CID 113355829) is N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide is O=C(NCC1(C2CC2)CC1)c1cc(O)cc(O)c1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide?
The InChIKey is UYVJNLSCUIUNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-11-5-9(6-12(17)7-11)13(18)15-8-14(3-4-14)10-1-2-10/h5-7,10,16-17H,1-4,8H2,(H,15,18).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide?
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide has a molecular weight of 247.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 113355829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).