N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide

C20H20N2O4 — CID 166412042

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)NC2COc3c(cccc3OC)C2)c1
InChIInChI=1S/C20H20N2O4/c1-3-18(23)21-15-8-4-7-14(11-15)20(24)22-16-10-13-6-5-9-17(25-2)19(13)26-12-16/h3-9,11,16H,1,10,12H2,2H3,(H,21,23)(H,22,24)
InChIKeySCCZRAAADDEHER-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.55
Rot. Bonds5

About N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide (PubChem CID 166412042) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide
PubChem CID166412042
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)NC2COc3c(cccc3OC)C2)c1
InChIInChI=1S/C20H20N2O4/c1-3-18(23)21-15-8-4-7-14(11-15)20(24)22-16-10-13-6-5-9-17(25-2)19(13)26-12-16/h3-9,11,16H,1,10,12H2,2H3,(H,21,23)(H,22,24)
InChIKeySCCZRAAADDEHER-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131932776
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 97000804
2-cyclopropyl-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-pyrrole-3-carboxamide
CID 126812603
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137222532
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2,2,2-trifluoroethylamino)propanamide
CID 96539789
3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95977707
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]thiomorpholine-4-carboxamide
CID 95977711
4-acetyl-N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepane-1-carboxamide
CID 95568985
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 56720229
2-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-pyrazol-1-ylbenzamide
CID 131924324

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide (CID 166412042) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cccc(C(=O)NC2COc3c(cccc3OC)C2)c1.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide?
The InChIKey is SCCZRAAADDEHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-18(23)21-15-8-4-7-14(11-15)20(24)22-16-10-13-6-5-9-17(25-2)19(13)26-12-16/h3-9,11,16H,1,10,12H2,2H3,(H,21,23)(H,22,24).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166412042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).