(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide

C17H23N3O3 — CID 124606255

IUPAC(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CCCO1
InChIInChI=1S/C17H23N3O3/c1-13-11-19(8-5-9-23-13)17(22)18-14-10-16(21)20(12-14)15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyBTSLDMNMAJJJLS-KGLIPLIRSA-N
MW317.39 g/mol
LogP1.61
Rot. Bonds2

About (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide

(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide (PubChem CID 124606255) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide
PubChem CID124606255
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CCCO1
InChIInChI=1S/C17H23N3O3/c1-13-11-19(8-5-9-23-13)17(22)18-14-10-16(21)20(12-14)15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyBTSLDMNMAJJJLS-KGLIPLIRSA-N
XLogP1.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide with MolForge

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Related Compounds

N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 71882274
(2R)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide
CID 97015203
4-(furan-2-carbonyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209011
4-(furan-2-carbonyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209010
1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7209085
(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7548675
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 7209012
3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 146126205
(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513252
(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7215119
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide (CID 124606255) is (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide is C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CCCO1.
What is the InChIKey of (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide?
The InChIKey is BTSLDMNMAJJJLS-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13-11-19(8-5-9-23-13)17(22)18-14-10-16(21)20(12-14)15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,18,22)/t13-,14+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide?
(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 124606255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).