6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

C21H25N3O3 — CID 134233399

IUPAC6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESC[C@@H](NC(=O)c1cc(C(=O)NCC2CC2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-14(16-5-3-2-4-6-16)23-20(25)17-11-18(21(26)22-12-15-7-8-15)24-9-10-27-13-19(17)24/h2-6,11,14-15H,7-10,12-13H2,1H3,(H,22,26)(H,23,25)/t14-/m1/s1
InChIKeyGWXGRMSUMRFLKJ-CQSZACIVSA-N
MW367.45 g/mol
LogP2.65
Rot. Bonds6

About 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide

6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 134233399) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID134233399
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESC[C@@H](NC(=O)c1cc(C(=O)NCC2CC2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-14(16-5-3-2-4-6-16)23-20(25)17-11-18(21(26)22-12-15-7-8-15)24-9-10-27-13-19(17)24/h2-6,11,14-15H,7-10,12-13H2,1H3,(H,22,26)(H,23,25)/t14-/m1/s1
InChIKeyGWXGRMSUMRFLKJ-CQSZACIVSA-N
XLogP2.65
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-8-N-(1-pyrimidin-2-ylethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514549
8-N-(cyclopropylmethyl)-6-N-[1-(4-fluorophenyl)ethyl]-8-N-(1-pyrimidin-2-ylethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123726085
methyl 3-[[[8-(1-phenylpropylcarbamoyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]amino]methyl]benzoate
CID 123542135
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-[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
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
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-(4-fluorophenyl)-2-methylpropyl]-8-N-[(1R)-1-pyrimidin-2-ylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 146761009
6-(2,2-dimethylpyrrolidine-1-carbonyl)-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123314351
N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide
CID 163595492
6-N-[1-(4-fluorophenyl)ethyl]-8-N-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 78151709

Frequently Asked Questions

What is the IUPAC name of 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The IUPAC name of 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 134233399) is 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.
What is the SMILES notation for 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The canonical SMILES for 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is C[C@@H](NC(=O)c1cc(C(=O)NCC2CC2)n2c1COCC2)c1ccccc1.
What is the InChIKey of 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is GWXGRMSUMRFLKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(16-5-3-2-4-6-16)23-20(25)17-11-18(21(26)22-12-15-7-8-15)24-9-10-27-13-19(17)24/h2-6,11,14-15H,7-10,12-13H2,1H3,(H,22,26)(H,23,25)/t14-/m1/s1.
What are the key properties of 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(cyclopropylmethyl)-8-N-[(1R)-1-phenylethyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 134233399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).