N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide

C19H18N2O3 — CID 4033284

IUPACN-benzyl-7-ethoxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(OCC)ccc2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-23-15-9-8-14-10-16(18(20)24-17(14)11-15)19(22)21-12-13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3,(H,21,22)/b20-18-
InChIKeyXRHHNGHTFPQPMT-ZZEZOPTASA-N
MW322.36 g/mol
LogP3.24
Rot. Bonds5

About N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide

N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide (PubChem CID 4033284) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-ethoxy-2-iminochromene-3-carboxamide
PubChem CID4033284
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-benzyl-7-ethoxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(OCC)ccc2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-23-15-9-8-14-10-16(18(20)24-17(14)11-15)19(22)21-12-13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3,(H,21,22)/b20-18-
InChIKeyXRHHNGHTFPQPMT-ZZEZOPTASA-N
XLogP3.24
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide?
The IUPAC name of N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide (CID 4033284) is N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide?
The canonical SMILES for N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide is [H]/N=c1\oc2cc(OCC)ccc2cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide?
The InChIKey is XRHHNGHTFPQPMT-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-23-15-9-8-14-10-16(18(20)24-17(14)11-15)19(22)21-12-13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3,(H,21,22)/b20-18-.
What are the key properties of N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide?
N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-ethoxy-2-iminochromene-3-carboxamide is sourced from PubChem (CID 4033284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).