N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide

C19H16N2O5 — CID 19289020

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OC)cccc2cc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O5/c1-23-15-4-2-3-12-8-13(18(20)26-17(12)15)19(22)21-9-11-5-6-14-16(7-11)25-10-24-14/h2-8,20H,9-10H2,1H3,(H,21,22)/b20-18-
InChIKeyCOLYECKUHVQBRK-ZZEZOPTASA-N
MW352.35 g/mol
LogP2.58
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide (PubChem CID 19289020) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide
PubChem CID19289020
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OC)cccc2cc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O5/c1-23-15-4-2-3-12-8-13(18(20)26-17(12)15)19(22)21-9-11-5-6-14-16(7-11)25-10-24-14/h2-8,20H,9-10H2,1H3,(H,21,22)/b20-18-
InChIKeyCOLYECKUHVQBRK-ZZEZOPTASA-N
XLogP2.58
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 17379757
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5307755
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794
8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431122
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide
CID 2081460
1-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 10110663
3-(1,3-benzodioxol-5-ylmethyl)-1-methoxy-1-methylurea
CID 75444524
N-(1,3-benzodioxol-5-ylmethyl)-N'-[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanediamide
CID 3627019
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide
CID 119099694
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
CID 110753656

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide (CID 19289020) is N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide is [H]/N=c1\oc2c(OC)cccc2cc1C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide?
The InChIKey is COLYECKUHVQBRK-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H16N2O5/c1-23-15-4-2-3-12-8-13(18(20)26-17(12)15)19(22)21-9-11-5-6-14-16(7-11)25-10-24-14/h2-8,20H,9-10H2,1H3,(H,21,22)/b20-18-.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 19289020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).