N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

C20H30N2O2 — CID 86769762

IUPACN-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)C1CCCN1C1CCOCC1
InChIInChI=1S/C20H30N2O2/c1-21(13-5-9-17-7-3-2-4-8-17)20(23)19-10-6-14-22(19)18-11-15-24-16-12-18/h2-4,7-8,18-19H,5-6,9-16H2,1H3
InChIKeyVOTSGJFPDJLMJJ-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.72
Rot. Bonds6

About N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide (PubChem CID 86769762) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
PubChem CID86769762
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)C1CCCN1C1CCOCC1
InChIInChI=1S/C20H30N2O2/c1-21(13-5-9-17-7-3-2-4-8-17)20(23)19-10-6-14-22(19)18-11-15-24-16-12-18/h2-4,7-8,18-19H,5-6,9-16H2,1H3
InChIKeyVOTSGJFPDJLMJJ-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(2-chlorophenoxy)propyl]-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 86284149
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
(2S,4R)-N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 155880491
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-(3-phenylpropyl)propanamide
CID 55710540
N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 84599579
N,4-dimethyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 114422878
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
CID 116559712
(2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 163336060
N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide
CID 141072275
N-methyl-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 74878818

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide (CID 86769762) is N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide is CN(CCCc1ccccc1)C(=O)C1CCCN1C1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is VOTSGJFPDJLMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-21(13-5-9-17-7-3-2-4-8-17)20(23)19-10-6-14-22(19)18-11-15-24-16-12-18/h2-4,7-8,18-19H,5-6,9-16H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86769762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).