[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

C23H24N2O5 — CID 8747358

IUPAC[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESCc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C23H24N2O5/c1-15-8-10-19(11-9-15)24-21(26)13-25(3)22(27)16(2)30-23(28)18-12-17-6-4-5-7-20(17)29-14-18/h4-12,16H,13-14H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyXWOJBLXNDPNPDP-MRXNPFEDSA-N
MW408.45 g/mol
LogP2.80
Rot. Bonds6

About [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (PubChem CID 8747358) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
PubChem CID8747358
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESCc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C23H24N2O5/c1-15-8-10-19(11-9-15)24-21(26)13-25(3)22(27)16(2)30-23(28)18-12-17-6-4-5-7-20(17)29-14-18/h4-12,16H,13-14H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyXWOJBLXNDPNPDP-MRXNPFEDSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate with MolForge

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
CID 8744452
[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387017
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745271
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744212
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2H-chromene-3-carboxylate
CID 7441797
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8743997
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744007
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745614
[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 8764098
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The IUPAC name of [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (CID 8747358) is [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The canonical SMILES for [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The InChIKey is XWOJBLXNDPNPDP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15-8-10-19(11-9-15)24-21(26)13-25(3)22(27)16(2)30-23(28)18-12-17-6-4-5-7-20(17)29-14-18/h4-12,16H,13-14H2,1-3H3,(H,24,26)/t16-/m1/s1.
What are the key properties of [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8747358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).