N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide

C20H30N2O — CID 99946333

IUPACN-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1CCNC1)N(CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(15-18-11-13-21-16-18)22(19-9-5-2-6-10-19)14-12-17-7-3-1-4-8-17/h1,3-4,7-8,18-19,21H,2,5-6,9-16H2/t18-/m0/s1
InChIKeyHCQFWSPVCIENLP-SFHVURJKSA-N
MW314.47 g/mol
LogP3.39
Rot. Bonds6

About N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide

N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 99946333) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID99946333
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1CCNC1)N(CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(15-18-11-13-21-16-18)22(19-9-5-2-6-10-19)14-12-17-7-3-1-4-8-17/h1,3-4,7-8,18-19,21H,2,5-6,9-16H2/t18-/m0/s1
InChIKeyHCQFWSPVCIENLP-SFHVURJKSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 167932539
N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771595
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
N-cyclopentyl-2-(methylamino)-N-(2-phenylethyl)acetamide
CID 119771582
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391
N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 563302
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119821577
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-cyclohexyl-N-(2-phenylethyl)formamide
CID 87224609
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide (CID 99946333) is N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide is O=C(C[C@@H]1CCNC1)N(CCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is HCQFWSPVCIENLP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O/c23-20(15-18-11-13-21-16-18)22(19-9-5-2-6-10-19)14-12-17-7-3-1-4-8-17/h1,3-4,7-8,18-19,21H,2,5-6,9-16H2/t18-/m0/s1.
What are the key properties of N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide?
N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 314.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99946333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).