N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide

C16H24N4O2 — CID 86993830

IUPACN-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C16H24N4O2/c1-2-17-15(21)11-19-16(22)18-10-13-8-9-20(12-13)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,17,21)(H2,18,19,22)
InChIKeyXRCKJNNQFFJUBG-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.95
Rot. Bonds6

About N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide

N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide (PubChem CID 86993830) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
PubChem CID86993830
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C16H24N4O2/c1-2-17-15(21)11-19-16(22)18-10-13-8-9-20(12-13)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,17,21)(H2,18,19,22)
InChIKeyXRCKJNNQFFJUBG-UHFFFAOYSA-N
XLogP0.95
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94047838
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51084019
3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide
CID 146130178
2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56526680
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95638289
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 51939102
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94172004
2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364964
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide?
The IUPAC name of N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide (CID 86993830) is N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide is CCNC(=O)CNC(=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide?
The InChIKey is XRCKJNNQFFJUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-17-15(21)11-19-16(22)18-10-13-8-9-20(12-13)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,17,21)(H2,18,19,22).
What are the key properties of N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide?
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide has a molecular weight of 304.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 86993830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).