N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide

C19H28N2O2 — CID 111841104

IUPACN-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCCC1(CNC(=O)N2CCCC2CC(O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-2-19(10-11-19)14-20-18(23)21-12-6-9-16(21)13-17(22)15-7-4-3-5-8-15/h3-5,7-8,16-17,22H,2,6,9-14H2,1H3,(H,20,23)
InChIKeyIPPZEJWFBHVEPG-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.47
Rot. Bonds6

About N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide

N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 111841104) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID111841104
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCCC1(CNC(=O)N2CCCC2CC(O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-2-19(10-11-19)14-20-18(23)21-12-6-9-16(21)13-17(22)15-7-4-3-5-8-15/h3-5,7-8,16-17,22H,2,6,9-14H2,1H3,(H,20,23)
InChIKeyIPPZEJWFBHVEPG-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020978
2-(2-hydroxy-2-phenylethyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 111578773
2-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 111476043
(2S)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 124516223
(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 95909147
(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 95932321
2-(1-hydroxycyclohexyl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 111540770
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111505139
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carboxamide
CID 124880451
2-(2-hydroxy-2-phenylethyl)-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71868512
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 111472289
[(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-(1-methylsulfonylcyclopropyl)methanone
CID 124734590

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide (CID 111841104) is N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide is CCC1(CNC(=O)N2CCCC2CC(O)c2ccccc2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is IPPZEJWFBHVEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-19(10-11-19)14-20-18(23)21-12-6-9-16(21)13-17(22)15-7-4-3-5-8-15/h3-5,7-8,16-17,22H,2,6,9-14H2,1H3,(H,20,23).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide?
N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111841104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).