2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide

C16H24N2O — CID 104955284

IUPAC2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
SMILESCCC(C(=O)NCC[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(13-7-4-3-5-8-13)16(19)18-12-10-14-9-6-11-17-14/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3,(H,18,19)/t14-,15?/m0/s1
InChIKeyZQRKIKBTFGFWKE-MLCCFXAWSA-N
MW260.38 g/mol
LogP2.44
Rot. Bonds6

About 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide

2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide (PubChem CID 104955284) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
PubChem CID104955284
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
SMILESCCC(C(=O)NCC[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(13-7-4-3-5-8-13)16(19)18-12-10-14-9-6-11-17-14/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3,(H,18,19)/t14-,15?/m0/s1
InChIKeyZQRKIKBTFGFWKE-MLCCFXAWSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104971899
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972166
N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106609453
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718
2-[ethyl(methyl)amino]-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513409
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
2-phenoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]acetamide
CID 104971951
N-(1-phenylpropyl)-3-piperidin-2-ylpropanamide
CID 62305915
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide?
The IUPAC name of 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide (CID 104955284) is 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide?
The canonical SMILES for 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide is CCC(C(=O)NCC[C@@H]1CCCN1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide?
The InChIKey is ZQRKIKBTFGFWKE-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-15(13-7-4-3-5-8-13)16(19)18-12-10-14-9-6-11-17-14/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3,(H,18,19)/t14-,15?/m0/s1.
What are the key properties of 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide?
2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide is sourced from PubChem (CID 104955284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).