N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide

C25H24N2O4 — CID 86896297

IUPACN-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)CC(C(=O)Nc1ccccc1NC(=O)c1ccccc1)CO2
InChIInChI=1S/C25H24N2O4/c1-2-30-20-12-13-23-18(15-20)14-19(16-31-23)25(29)27-22-11-7-6-10-21(22)26-24(28)17-8-4-3-5-9-17/h3-13,15,19H,2,14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeySOBLXFRSQSKIGQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.53
Rot. Bonds6

About N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 86896297) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID86896297
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)CC(C(=O)Nc1ccccc1NC(=O)c1ccccc1)CO2
InChIInChI=1S/C25H24N2O4/c1-2-30-20-12-13-23-18(15-20)14-19(16-31-23)25(29)27-22-11-7-6-10-21(22)26-24(28)17-8-4-3-5-9-17/h3-13,15,19H,2,14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeySOBLXFRSQSKIGQ-UHFFFAOYSA-N
XLogP4.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95287326
6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896247
6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 120831058
2-[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]acetic acid
CID 119172257
N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896269
6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86962053
N-[1-(3-benzamidophenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 112824255
6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55595952
(3-methylphenyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86896181
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123430

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 86896297) is N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide is CCOc1ccc2c(c1)CC(C(=O)Nc1ccccc1NC(=O)c1ccccc1)CO2.
What is the InChIKey of N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SOBLXFRSQSKIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-2-30-20-12-13-23-18(15-20)14-19(16-31-23)25(29)27-22-11-7-6-10-21(22)26-24(28)17-8-4-3-5-9-17/h3-13,15,19H,2,14,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 86896297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).