N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide

C16H22N2O — CID 99903438

IUPACN-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NC[C@@H]1CCCN1c1ccccc1)C1CCC1
InChIInChI=1S/C16H22N2O/c19-16(13-6-4-7-13)17-12-15-10-5-11-18(15)14-8-2-1-3-9-14/h1-3,8-9,13,15H,4-7,10-12H2,(H,17,19)/t15-/m0/s1
InChIKeyWSKPERWCTFPXRA-HNNXBMFYSA-N
MW258.36 g/mol
LogP2.57
Rot. Bonds4

About N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide

N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 99903438) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID99903438
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NC[C@@H]1CCCN1c1ccccc1)C1CCC1
InChIInChI=1S/C16H22N2O/c19-16(13-6-4-7-13)17-12-15-10-5-11-18(15)14-8-2-1-3-9-14/h1-3,8-9,13,15H,4-7,10-12H2,(H,17,19)/t15-/m0/s1
InChIKeyWSKPERWCTFPXRA-HNNXBMFYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 99903505
N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide
CID 90619794
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 73168268
1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea
CID 99903541
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619858
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619767
3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99883062

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide (CID 99903438) is N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide is O=C(NC[C@@H]1CCCN1c1ccccc1)C1CCC1.
What is the InChIKey of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is WSKPERWCTFPXRA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(13-6-4-7-13)17-12-15-10-5-11-18(15)14-8-2-1-3-9-14/h1-3,8-9,13,15H,4-7,10-12H2,(H,17,19)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide?
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 99903438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).