N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide

C33H24N2O4 — CID 102033418

IUPACN-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide
SMILESO=Cc1cc2ccccc2c(-c2c(OCc3cccc(NC(=O)c4ccc[nH]4)c3)ccc3ccccc23)c1O
InChIInChI=1S/C33H24N2O4/c36-19-24-18-23-9-2-4-12-27(23)31(32(24)37)30-26-11-3-1-8-22(26)14-15-29(30)39-20-21-7-5-10-25(17-21)35-33(38)28-13-6-16-34-28/h1-19,34,37H,20H2,(H,35,38)
InChIKeyUSVUICGNMJZKRZ-UHFFFAOYSA-N
MW512.57 g/mol
LogP7.34
Rot. Bonds7

About N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide

N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 102033418) has the molecular formula C33H24N2O4 and a molecular weight of 512.57 g/mol. Its IUPAC name is N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide
PubChem CID102033418
Molecular FormulaC33H24N2O4
Molecular Weight512.57 g/mol
Exact Mass512.17
IUPAC NameN-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide
SMILESO=Cc1cc2ccccc2c(-c2c(OCc3cccc(NC(=O)c4ccc[nH]4)c3)ccc3ccccc23)c1O
InChIInChI=1S/C33H24N2O4/c36-19-24-18-23-9-2-4-12-27(23)31(32(24)37)30-26-11-3-1-8-22(26)14-15-29(30)39-20-21-7-5-10-25(17-21)35-33(38)28-13-6-16-34-28/h1-19,34,37H,20H2,(H,35,38)
InChIKeyUSVUICGNMJZKRZ-UHFFFAOYSA-N
XLogP7.34
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.57
LogP ≤ 57.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea
CID 58058387
diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea
CID 159283952
N-(3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 28741153
N-naphthalen-1-yl-1H-pyrrole-2-carboxamide
CID 110461074
N-(3-iodophenyl)-1H-pyrrole-2-carboxamide
CID 51210999
3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde
CID 132942599
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 60513959
azane;[3-[[(2S)-2-(3-chloropropyl)-4-oxo-5-[1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-yl]oxypentanoyl]amino]phenyl]methyl formate
CID 158101891
4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide
CID 71865914
N-[4-(aminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480991
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide (CID 102033418) is N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide is O=Cc1cc2ccccc2c(-c2c(OCc3cccc(NC(=O)c4ccc[nH]4)c3)ccc3ccccc23)c1O.
What is the InChIKey of N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is USVUICGNMJZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O4/c36-19-24-18-23-9-2-4-12-27(23)31(32(24)37)30-26-11-3-1-8-22(26)14-15-29(30)39-20-21-7-5-10-25(17-21)35-33(38)28-13-6-16-34-28/h1-19,34,37H,20H2,(H,35,38).
What are the key properties of N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide?
N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 7.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 102033418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).