2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide

C16H25N3O — CID 120704332

IUPAC2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCNCC(=O)NCC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-17-12-16(20)18-11-15-8-10-19(13-15)9-7-14-5-3-2-4-6-14/h2-6,15,17H,7-13H2,1H3,(H,18,20)
InChIKeyKWNQPUQPTJEWBM-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.89
Rot. Bonds7

About 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide

2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 120704332) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID120704332
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCNCC(=O)NCC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-17-12-16(20)18-11-15-8-10-19(13-15)9-7-14-5-3-2-4-6-14/h2-6,15,17H,7-13H2,1H3,(H,18,20)
InChIKeyKWNQPUQPTJEWBM-UHFFFAOYSA-N
XLogP0.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 129423731
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97185415
N-tert-butyl-2-[[N'-methyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111385061
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
CID 95570926
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (CID 120704332) is 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is CNCC(=O)NCC1CCN(CCc2ccccc2)C1.
What is the InChIKey of 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is KWNQPUQPTJEWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-12-16(20)18-11-15-8-10-19(13-15)9-7-14-5-3-2-4-6-14/h2-6,15,17H,7-13H2,1H3,(H,18,20).
What are the key properties of 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 120704332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).