N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide

C17H32N2O3 — CID 72895452

IUPACN-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCCC[C@H]1CN(CCOCC)C[C@@H]1NC(=O)C1CCOCC1
InChIInChI=1S/C17H32N2O3/c1-3-5-15-12-19(8-11-21-4-2)13-16(15)18-17(20)14-6-9-22-10-7-14/h14-16H,3-13H2,1-2H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyQNARFDYMIKQUFI-HOTGVXAUSA-N
MW312.45 g/mol
LogP1.67
Rot. Bonds8

About N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 72895452) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID72895452
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCCC[C@H]1CN(CCOCC)C[C@@H]1NC(=O)C1CCOCC1
InChIInChI=1S/C17H32N2O3/c1-3-5-15-12-19(8-11-21-4-2)13-16(15)18-17(20)14-6-9-22-10-7-14/h14-16H,3-13H2,1-2H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyQNARFDYMIKQUFI-HOTGVXAUSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-Methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 128873641
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45203587
N~3~-acetyl-N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-N~1~-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-beta-alaninamide
CID 45170170
N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}tetrahydro-2H-pyran-4-carboxamide
CID 45185511
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-4-piperidinyl]propanamide
CID 45220917
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45227367
(S)-(3-Aminopyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 53256339
4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide
CID 57797483
1-(Oxane-4-carbonyl)pyrrolidin-3-amine
CID 62068425
N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide
CID 90438036
N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 90442600
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 130272224

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide (CID 72895452) is N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide is CCC[C@H]1CN(CCOCC)C[C@@H]1NC(=O)C1CCOCC1.
What is the InChIKey of N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is QNARFDYMIKQUFI-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-3-5-15-12-19(8-11-21-4-2)13-16(15)18-17(20)14-6-9-22-10-7-14/h14-16H,3-13H2,1-2H3,(H,18,20)/t15-,16-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-ethoxyethyl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 72895452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).