N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide

C21H25NO2 — CID 110416741

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCC1(CO)CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-16-21(13-7-8-14-21)15-22-20(24)19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,23H,7-8,13-16H2,(H,22,24)
InChIKeyFMEDGIABVDCGMQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.49
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide (PubChem CID 110416741) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
PubChem CID110416741
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCC1(CO)CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-16-21(13-7-8-14-21)15-22-20(24)19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,23H,7-8,13-16H2,(H,22,24)
InChIKeyFMEDGIABVDCGMQ-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenyl-2-sulfanylpropanamide
CID 107034274
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
CID 115362542
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol
CID 113293779
(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433068
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
CID 103812586
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-phenylacetate
CID 81399531
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide (CID 110416741) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide is O=C(NCC1(CO)CCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide?
The InChIKey is FMEDGIABVDCGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-16-21(13-7-8-14-21)15-22-20(24)19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,23H,7-8,13-16H2,(H,22,24).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide has a molecular weight of 323.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 110416741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).