N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C23H25NO3 — CID 18154960

IUPACN-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCCCCN(CC)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C23H25NO3/c1-4-6-15-24(5-2)23(26)19-14-10-13-18-20(25)16(3)21(27-22(18)19)17-11-8-7-9-12-17/h7-14H,4-6,15H2,1-3H3
InChIKeyBBOFOOYCBDYYOF-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.03
Rot. Bonds6

About N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 18154960) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID18154960
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCCCCN(CC)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C23H25NO3/c1-4-6-15-24(5-2)23(26)19-14-10-13-18-20(25)16(3)21(27-22(18)19)17-11-8-7-9-12-17/h7-14H,4-6,15H2,1-3H3
InChIKeyBBOFOOYCBDYYOF-UHFFFAOYSA-N
XLogP5.03
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 31832233
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 95704830
N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 27829025
N-(furan-2-ylmethyl)-N,3-dimethyl-4-oxo-2-phenylchromene-8-carboxamide
CID 17450820
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
2-methylprop-2-enyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18098557
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 26192057
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
8-(1,3-dihydroisoindole-2-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 166196840
2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N,N-diethylbenzamide
CID 169270128

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 18154960) is N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is CCCCN(CC)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is BBOFOOYCBDYYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-4-6-15-24(5-2)23(26)19-14-10-13-18-20(25)16(3)21(27-22(18)19)17-11-8-7-9-12-17/h7-14H,4-6,15H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 18154960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).