N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide

C20H22N2O3 — CID 86878702

IUPACN-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide
SMILESCCN(C)c1cccc(NC(=O)C2=Cc3ccc(OC)cc3OC2)c1
InChIInChI=1S/C20H22N2O3/c1-4-22(2)17-7-5-6-16(11-17)21-20(23)15-10-14-8-9-18(24-3)12-19(14)25-13-15/h5-12H,4,13H2,1-3H3,(H,21,23)
InChIKeyNSPAJDMNZXHJJA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.57
Rot. Bonds5

About N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide

N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide (PubChem CID 86878702) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide
PubChem CID86878702
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide
SMILESCCN(C)c1cccc(NC(=O)C2=Cc3ccc(OC)cc3OC2)c1
InChIInChI=1S/C20H22N2O3/c1-4-22(2)17-7-5-6-16(11-17)21-20(23)15-10-14-8-9-18(24-3)12-19(14)25-13-15/h5-12H,4,13H2,1-3H3,(H,21,23)
InChIKeyNSPAJDMNZXHJJA-UHFFFAOYSA-N
XLogP3.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46488602
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide
CID 34778072
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86903483
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 7464936
N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46484911
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517
N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
CID 139932924
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 26975924

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide (CID 86878702) is N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide is CCN(C)c1cccc(NC(=O)C2=Cc3ccc(OC)cc3OC2)c1.
What is the InChIKey of N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide?
The InChIKey is NSPAJDMNZXHJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-22(2)17-7-5-6-16(11-17)21-20(23)15-10-14-8-9-18(24-3)12-19(14)25-13-15/h5-12H,4,13H2,1-3H3,(H,21,23).
What are the key properties of N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide?
N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 86878702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).