N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide

C22H29N3O2 — CID 41454839

IUPACN'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)24-21(27)20(26)23-15-19(25-13-6-7-14-25)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12,19H,6-7,13-15H2,1-3H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyRDIRRVXEYUSCIL-LJQANCHMSA-N
MW367.49 g/mol
LogP3.01
Rot. Bonds4

About N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide

N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide (PubChem CID 41454839) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
PubChem CID41454839
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)24-21(27)20(26)23-15-19(25-13-6-7-14-25)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12,19H,6-7,13-15H2,1-3H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyRDIRRVXEYUSCIL-LJQANCHMSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dimethylphenyl)-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454843
N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454719
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 16813216
4-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide
CID 8701633
1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea
CID 8701528
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813231
N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide
CID 41453920
N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide
CID 30835743
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701696

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide (CID 41454839) is N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide is CC(C)(C)NC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N1CCCC1.
What is the InChIKey of N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide?
The InChIKey is RDIRRVXEYUSCIL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,3)24-21(27)20(26)23-15-19(25-13-6-7-14-25)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12,19H,6-7,13-15H2,1-3H3,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide?
N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide has a molecular weight of 367.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide is sourced from PubChem (CID 41454839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).