N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide

C14H17NO3 — CID 107723158

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
SMILESO=C(c1cc(O)ccc1O)N(CC1CC1)C1CC1
InChIInChI=1S/C14H17NO3/c16-11-5-6-13(17)12(7-11)14(18)15(10-3-4-10)8-9-1-2-9/h5-7,9-10,16-17H,1-4,8H2
InChIKeyKMUFHKONXBMKON-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.11
Rot. Bonds4

About N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide

N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide (PubChem CID 107723158) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
PubChem CID107723158
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
SMILESO=C(c1cc(O)ccc1O)N(CC1CC1)C1CC1
InChIInChI=1S/C14H17NO3/c16-11-5-6-13(17)12(7-11)14(18)15(10-3-4-10)8-9-1-2-9/h5-7,9-10,16-17H,1-4,8H2
InChIKeyKMUFHKONXBMKON-UHFFFAOYSA-N
XLogP2.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide
CID 107725344
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide
CID 113364301
N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721216
2-chloro-N-cyclopropyl-5-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106599315
N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107725203
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 63101703

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide (CID 107723158) is N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide is O=C(c1cc(O)ccc1O)N(CC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide?
The InChIKey is KMUFHKONXBMKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-11-5-6-13(17)12(7-11)14(18)15(10-3-4-10)8-9-1-2-9/h5-7,9-10,16-17H,1-4,8H2.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide?
N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide has a molecular weight of 247.29 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-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107723158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).