2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

C23H23N3O5 — CID 51367191

IUPAC2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC3CCCO3)/c(=N/c3ccc(C(N)=O)cc3)oc12
InChIInChI=1S/C23H23N3O5/c1-29-19-6-2-4-15-12-18(22(28)25-13-17-5-3-11-30-17)23(31-20(15)19)26-16-9-7-14(8-10-16)21(24)27/h2,4,6-10,12,17H,3,5,11,13H2,1H3,(H2,24,27)(H,25,28)/b26-23-
InChIKeyRHMRWSCSRINPLN-RWEWTDSWSA-N
MW421.45 g/mol
LogP2.68
Rot. Bonds6

About 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 51367191) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
PubChem CID51367191
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC3CCCO3)/c(=N/c3ccc(C(N)=O)cc3)oc12
InChIInChI=1S/C23H23N3O5/c1-29-19-6-2-4-15-12-18(22(28)25-13-17-5-3-11-30-17)23(31-20(15)19)26-16-9-7-14(8-10-16)21(24)27/h2,4,6-10,12,17H,3,5,11,13H2,1H3,(H2,24,27)(H,25,28)/b26-23-
InChIKeyRHMRWSCSRINPLN-RWEWTDSWSA-N
XLogP2.68
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1135040
ethyl 4-[[8-methoxy-3-[[(2R)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95185035
ethyl 4-[[8-methoxy-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95185034
2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185039
8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 95185070
2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185082
2-(2-chloro-5-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185059
2-(3-chloro-2-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185062
2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1134964
6-chloro-2-(4-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184892
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
methyl 4-[[6-chloro-3-[[(2R)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95184915

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 51367191) is 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is COc1cccc2cc(C(=O)NCC3CCCO3)/c(=N/c3ccc(C(N)=O)cc3)oc12.
What is the InChIKey of 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is RHMRWSCSRINPLN-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-29-19-6-2-4-15-12-18(22(28)25-13-17-5-3-11-30-17)23(31-20(15)19)26-16-9-7-14(8-10-16)21(24)27/h2,4,6-10,12,17H,3,5,11,13H2,1H3,(H2,24,27)(H,25,28)/b26-23-.
What are the key properties of 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 51367191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).