3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride

C16H24ClN3O3 — CID 120943111

IUPAC3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NCC1CNCC1O)c1ccccc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-11(20)19-14(12-5-3-2-4-6-12)7-16(22)18-9-13-8-17-10-15(13)21;/h2-6,13-15,17,21H,7-10H2,1H3,(H,18,22)(H,19,20);1H
InChIKeyXDVVLULCWKSQIV-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.37
Rot. Bonds6

About 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride

3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 120943111) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
PubChem CID120943111
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NCC1CNCC1O)c1ccccc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-11(20)19-14(12-5-3-2-4-6-12)7-16(22)18-9-13-8-17-10-15(13)21;/h2-6,13-15,17,21H,7-10H2,1H3,(H,18,22)(H,19,20);1H
InChIKeyXDVVLULCWKSQIV-UHFFFAOYSA-N
XLogP0.37
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120946780
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 120945393
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 120944779
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride
CID 120944761
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442701
3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119463786
3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
CID 111447233
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948074
2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120948938

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride (CID 120943111) is 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride is CC(=O)NC(CC(=O)NCC1CNCC1O)c1ccccc1.Cl.
What is the InChIKey of 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is XDVVLULCWKSQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-11(20)19-14(12-5-3-2-4-6-12)7-16(22)18-9-13-8-17-10-15(13)21;/h2-6,13-15,17,21H,7-10H2,1H3,(H,18,22)(H,19,20);1H.
What are the key properties of 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120943111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).