N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide

C21H18N2O5 — CID 1020902

IUPACN-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3ccc(C(C)=O)cc3)c(C(=O)NC(C)=O)cc2c1
InChIInChI=1S/C21H18N2O5/c1-12(24)14-4-6-16(7-5-14)23-21-18(20(26)22-13(2)25)11-15-10-17(27-3)8-9-19(15)28-21/h4-11H,1-3H3,(H,22,25,26)/b23-21-
InChIKeyIGVQOAMFGNGDNZ-LNVKXUELSA-N
MW378.38 g/mol
LogP3.15
Rot. Bonds4

About N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide

N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide (PubChem CID 1020902) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide
PubChem CID1020902
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2o/c(=N\c3ccc(C(C)=O)cc3)c(C(=O)NC(C)=O)cc2c1
InChIInChI=1S/C21H18N2O5/c1-12(24)14-4-6-16(7-5-14)23-21-18(20(26)22-13(2)25)11-15-10-17(27-3)8-9-19(15)28-21/h4-11H,1-3H3,(H,22,25,26)/b23-21-
InChIKeyIGVQOAMFGNGDNZ-LNVKXUELSA-N
XLogP3.15
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3635457
1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone
CID 71248663
4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid
CID 23766700
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 4987314
ethyl 4-[[3-(acetylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 35207170
4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate
CID 4072902
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024
2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
CID 4260167
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
6-chloro-2-(4-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184892
N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
CID 3885953
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide?
The IUPAC name of N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide (CID 1020902) is N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide.
What is the SMILES notation for N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide?
The canonical SMILES for N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide is COc1ccc2o/c(=N\c3ccc(C(C)=O)cc3)c(C(=O)NC(C)=O)cc2c1.
What is the InChIKey of N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide?
The InChIKey is IGVQOAMFGNGDNZ-LNVKXUELSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-12(24)14-4-6-16(7-5-14)23-21-18(20(26)22-13(2)25)11-15-10-17(27-3)8-9-19(15)28-21/h4-11H,1-3H3,(H,22,25,26)/b23-21-.
What are the key properties of N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide?
N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide is sourced from PubChem (CID 1020902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).