6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

C24H31N3O3 — CID 71696451

IUPAC6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
SMILESCC[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2
InChIInChI=1S/C24H31N3O3/c1-3-18-11-8-12-26(18)24(29)21-15-19(22-16-30-14-13-27(21)22)23(28)25-20(4-2)17-9-6-5-7-10-17/h5-7,9-10,15,18,20H,3-4,8,11-14,16H2,1-2H3,(H,25,28)/t18-,20+/m0/s1
InChIKeyLNLKPPWJJZVTLN-AZUAARDMSA-N
MW409.53 g/mol
LogP3.91
Rot. Bonds6

About 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 71696451) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound Name6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID71696451
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
SMILESCC[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2
InChIInChI=1S/C24H31N3O3/c1-3-18-11-8-12-26(18)24(29)21-15-19(22-16-30-14-13-27(21)22)23(28)25-20(4-2)17-9-6-5-7-10-17/h5-7,9-10,15,18,20H,3-4,8,11-14,16H2,1-2H3,(H,25,28)/t18-,20+/m0/s1
InChIKeyLNLKPPWJJZVTLN-AZUAARDMSA-N
XLogP3.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[hydroxy(phenyl)methyl]pyrrolidine-1-carbonyl]-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123923490
methyl 1-[8-[[(1R)-1-phenylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]pyrrolidine-2-carboxylate
CID 126514448
6-(2,2-dimethylpyrrolidine-1-carbonyl)-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123314351
6-N-(cyclopropylmethyl)-6-N-methyl-8-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123845454
N-[(1R)-1-(5-chlorothiophen-2-yl)propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 126514499
6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696324
6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
CID 118931378
6-N-[1-(6-methoxy-2-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514686
6-N-[(1R)-1-phenylpropyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71696001
6-N-[1-(5-methoxypyrazin-2-yl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514728
methyl 3-[[[8-(1-phenylpropylcarbamoyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]amino]methyl]benzoate
CID 123542135
N-[(1R)-1-phenylpropyl]-6-[(3S)-3-[3-(trifluoromethyl)phenyl]pentanoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 147342641

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The IUPAC name of 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 71696451) is 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.
What is the SMILES notation for 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The canonical SMILES for 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is CC[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2.
What is the InChIKey of 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is LNLKPPWJJZVTLN-AZUAARDMSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-18-11-8-12-26(18)24(29)21-15-19(22-16-30-14-13-27(21)22)23(28)25-20(4-2)17-9-6-5-7-10-17/h5-7,9-10,15,18,20H,3-4,8,11-14,16H2,1-2H3,(H,25,28)/t18-,20+/m0/s1.
What are the key properties of 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 71696451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).