2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride

C14H22ClN3O — CID 119933615

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CC[C@H](N)C1)c1ccccc1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-2-17(13-6-4-3-5-7-13)14(18)11-16-9-8-12(15)10-16;/h3-7,12H,2,8-11,15H2,1H3;1H/t12-;/m0./s1
InChIKeyRWCZBBAVLDJYHH-YDALLXLXSA-N
MW283.80 g/mol
LogP1.49
Rot. Bonds4

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride

2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride (PubChem CID 119933615) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
PubChem CID119933615
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CC[C@H](N)C1)c1ccccc1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-2-17(13-6-4-3-5-7-13)14(18)11-16-9-8-12(15)10-16;/h3-7,12H,2,8-11,15H2,1H3;1H/t12-;/m0./s1
InChIKeyRWCZBBAVLDJYHH-YDALLXLXSA-N
XLogP1.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119925384
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 65249736
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
CID 102984942
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide
CID 51116457
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
CID 119917689
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
CID 71643823

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride (CID 119933615) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride is CCN(C(=O)CN1CC[C@H](N)C1)c1ccccc1.Cl.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride?
The InChIKey is RWCZBBAVLDJYHH-YDALLXLXSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-2-17(13-6-4-3-5-7-13)14(18)11-16-9-8-12(15)10-16;/h3-7,12H,2,8-11,15H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 119933615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).