(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide

C19H32N2O3 — CID 95294699

IUPAC(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H32N2O3/c1-2-20(12-15-9-10-24-14-15)19(23)16-11-18(22)21(13-16)17-7-5-3-4-6-8-17/h15-17H,2-14H2,1H3/t15-,16+/m0/s1
InChIKeyKSIURQIHTGKSES-JKSUJKDBSA-N
MW336.48 g/mol
LogP2.44
Rot. Bonds5

About (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide

(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 95294699) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID95294699
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H32N2O3/c1-2-20(12-15-9-10-24-14-15)19(23)16-11-18(22)21(13-16)17-7-5-3-4-6-8-17/h15-17H,2-14H2,1H3/t15-,16+/m0/s1
InChIKeyKSIURQIHTGKSES-JKSUJKDBSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 125151592
N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide
CID 94174849
(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 42395113
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190271
(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide
CID 94174845
N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78858369
1-cyclohexyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614196
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
(3R)-N,1-dicyclopropyl-N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 97096733
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide (CID 95294699) is (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide is CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is KSIURQIHTGKSES-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-2-20(12-15-9-10-24-14-15)19(23)16-11-18(22)21(13-16)17-7-5-3-4-6-8-17/h15-17H,2-14H2,1H3/t15-,16+/m0/s1.
What are the key properties of (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide?
(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95294699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).