N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide

C15H19NO3 — CID 114344418

IUPACN,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
SMILESO=C(c1cccc(O)c1O)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H19NO3/c17-13-3-1-2-12(14(13)18)15(19)16(8-10-4-5-10)9-11-6-7-11/h1-3,10-11,17-18H,4-9H2
InChIKeyXNZDULWCORRSBH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.36
Rot. Bonds5

About N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide

N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide (PubChem CID 114344418) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
PubChem CID114344418
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
SMILESO=C(c1cccc(O)c1O)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H19NO3/c17-13-3-1-2-12(14(13)18)15(19)16(8-10-4-5-10)9-11-6-7-11/h1-3,10-11,17-18H,4-9H2
InChIKeyXNZDULWCORRSBH-UHFFFAOYSA-N
XLogP2.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.36
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,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
N-(cyclopropylmethyl)-2-hydroxy-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608359
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
N,N-bis(cyanomethyl)-2,3-dihydroxybenzamide
CID 114343820
N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
2-[cyclopropyl-(2,3-dihydroxybenzoyl)amino]acetic acid
CID 114343291
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
(2,3-dihydroxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 114344142
N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide
CID 119050486
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide?
The IUPAC name of N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide (CID 114344418) is N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide is O=C(c1cccc(O)c1O)N(CC1CC1)CC1CC1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide?
The InChIKey is XNZDULWCORRSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-13-3-1-2-12(14(13)18)15(19)16(8-10-4-5-10)9-11-6-7-11/h1-3,10-11,17-18H,4-9H2.
What are the key properties of N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide?
N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide has a molecular weight of 261.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114344418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).