N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

C16H22N2O3 — CID 107728841

IUPACN-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(O)c1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H22N2O3/c19-14-6-5-12(8-15(14)20)16(21)18(9-11-3-4-11)10-13-2-1-7-17-13/h5-6,8,11,13,17,19-20H,1-4,7,9-10H2
InChIKeyOSEZYIIKKAPJSA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.70
Rot. Bonds5

About N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 107728841) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID107728841
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(O)c1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H22N2O3/c19-14-6-5-12(8-15(14)20)16(21)18(9-11-3-4-11)10-13-2-1-7-17-13/h5-6,8,11,13,17,19-20H,1-4,7,9-10H2
InChIKeyOSEZYIIKKAPJSA-UHFFFAOYSA-N
XLogP1.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699
3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608291
N-(cyclopropylmethyl)-2-hydroxy-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732244
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608439
N-(cyclopropylmethyl)-3-fluoro-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608710
N-(cyclopropylmethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 106608307
N-(cyclopropylmethyl)-2-hydroxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608691
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572
N-(cyclopropylmethyl)-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106608284
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
N-(cyclopropylmethyl)-2-hydroxy-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608359

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 107728841) is N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(c1ccc(O)c(O)c1)N(CC1CC1)CC1CCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is OSEZYIIKKAPJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14-6-5-12(8-15(14)20)16(21)18(9-11-3-4-11)10-13-2-1-7-17-13/h5-6,8,11,13,17,19-20H,1-4,7,9-10H2.
What are the key properties of N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107728841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).