2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

C18H27N3O2 — CID 110899469

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(CN(CCO)C1CC1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c22-11-10-21(17-6-7-17)14-18(23)19-12-15-8-9-20(13-15)16-4-2-1-3-5-16/h1-5,15,17,22H,6-14H2,(H,19,23)
InChIKeyVEHWYDMOQWLXRI-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.09
Rot. Bonds8

About 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 110899469) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
PubChem CID110899469
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(CN(CCO)C1CC1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c22-11-10-21(17-6-7-17)14-18(23)19-12-15-8-9-20(13-15)16-4-2-1-3-5-16/h1-5,15,17,22H,6-14H2,(H,19,23)
InChIKeyVEHWYDMOQWLXRI-UHFFFAOYSA-N
XLogP1.09
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 51939102
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55831378
2-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124786505
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide
CID 95143982
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55652389
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (CID 110899469) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is O=C(CN(CCO)C1CC1)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is VEHWYDMOQWLXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-11-10-21(17-6-7-17)14-18(23)19-12-15-8-9-20(13-15)16-4-2-1-3-5-16/h1-5,15,17,22H,6-14H2,(H,19,23).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 110899469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).