N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide

C19H28N4O — CID 98755711

IUPACN-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
SMILESCCN(CC(=O)NCCC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C19H28N4O/c1-3-22(15-19(24)21-12-7-11-20)18-10-13-23(14-18)16(2)17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10,12-15H2,1-2H3,(H,21,24)/t16-,18-/m1/s1
InChIKeyBSYPXJFJGHGFSR-SJLPKXTDSA-N
MW328.46 g/mol
LogP2.17
Rot. Bonds8

About N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide

N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide (PubChem CID 98755711) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
PubChem CID98755711
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
SMILESCCN(CC(=O)NCCC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C19H28N4O/c1-3-22(15-19(24)21-12-7-11-20)18-10-13-23(14-18)16(2)17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10,12-15H2,1-2H3,(H,21,24)/t16-,18-/m1/s1
InChIKeyBSYPXJFJGHGFSR-SJLPKXTDSA-N
XLogP2.17
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.17
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

N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
CID 98728851
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide
CID 56526257
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
CID 82979936
3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 56526240
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
N-ethyl-5-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 95286765
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
N-ethyl-3-methyl-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 94811047
2-[2-[ethyl-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 98763399
(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98728361
4-bromo-N-ethyl-3,5-dimethoxy-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]benzamide
CID 98691639

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide (CID 98755711) is N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide is CCN(CC(=O)NCCC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1.
What is the InChIKey of N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide?
The InChIKey is BSYPXJFJGHGFSR-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-22(15-19(24)21-12-7-11-20)18-10-13-23(14-18)16(2)17-8-5-4-6-9-17/h4-6,8-9,16,18H,3,7,10,12-15H2,1-2H3,(H,21,24)/t16-,18-/m1/s1.
What are the key properties of N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide?
N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide has a molecular weight of 328.46 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide is sourced from PubChem (CID 98755711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).