methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

C19H22N2O4 — CID 31284498

IUPACmethyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)N[C@H]2CCOc3ccccc32)c(C)c1C(=O)OC
InChIInChI=1S/C19H22N2O4/c1-4-13-16(19(23)24-3)11(2)17(20-13)18(22)21-14-9-10-25-15-8-6-5-7-12(14)15/h5-8,14,20H,4,9-10H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyNTEUIBNNVSSXBH-AWEZNQCLSA-N
MW342.40 g/mol
LogP2.93
Rot. Bonds4

About methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 31284498) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID31284498
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)N[C@H]2CCOc3ccccc32)c(C)c1C(=O)OC
InChIInChI=1S/C19H22N2O4/c1-4-13-16(19(23)24-3)11(2)17(20-13)18(22)21-14-9-10-25-15-8-6-5-7-12(14)15/h5-8,14,20H,4,9-10H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyNTEUIBNNVSSXBH-AWEZNQCLSA-N
XLogP2.93
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
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N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
CID 31284395
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide
CID 47048118
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-nitrobenzamide
CID 18115291
methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 51207851
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
CID 8819779
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
methyl 5-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 31448998
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (CID 31284498) is methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)N[C@H]2CCOc3ccccc32)c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is NTEUIBNNVSSXBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-13-16(19(23)24-3)11(2)17(20-13)18(22)21-14-9-10-25-15-8-6-5-7-12(14)15/h5-8,14,20H,4,9-10H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 31284498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).