N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide

C21H22N2O5 — CID 17379757

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OC)cccc2cc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H22N2O5/c1-25-16-8-7-13(11-18(16)27-3)9-10-23-21(24)15-12-14-5-4-6-17(26-2)19(14)28-20(15)22/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,24)/b22-20-
InChIKeyNCVIDUAKDWVSPS-XDOYNYLZSA-N
MW382.42 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide (PubChem CID 17379757) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
PubChem CID17379757
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OC)cccc2cc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H22N2O5/c1-25-16-8-7-13(11-18(16)27-3)9-10-23-21(24)15-12-14-5-4-6-17(26-2)19(14)28-20(15)22/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,24)/b22-20-
InChIKeyNCVIDUAKDWVSPS-XDOYNYLZSA-N
XLogP2.91
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 70696536
N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide
CID 19289020
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one
CID 19288933
8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 99809958
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 39966511
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
CID 110703150

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide (CID 17379757) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide is [H]/N=c1\oc2c(OC)cccc2cc1C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide?
The InChIKey is NCVIDUAKDWVSPS-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-25-16-8-7-13(11-18(16)27-3)9-10-23-21(24)15-12-14-5-4-6-17(26-2)19(14)28-20(15)22/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,24)/b22-20-.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 17379757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).