1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea

C16H23N3O2 — CID 60724313

IUPAC1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
SMILESCCN1CCCC1CNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H23N3O2/c1-3-19-10-4-5-15(19)11-17-16(21)18-14-8-6-13(7-9-14)12(2)20/h6-9,15H,3-5,10-11H2,1-2H3,(H2,17,18,21)
InChIKeyPQCPVNVCINPOTK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds5

About 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea

1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea (PubChem CID 60724313) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
PubChem CID60724313
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
SMILESCCN1CCCC1CNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H23N3O2/c1-3-19-10-4-5-15(19)11-17-16(21)18-14-8-6-13(7-9-14)12(2)20/h6-9,15H,3-5,10-11H2,1-2H3,(H2,17,18,21)
InChIKeyPQCPVNVCINPOTK-UHFFFAOYSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]thiourea
CID 2464363
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 124755518
1-(3-acetylphenyl)-3-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]urea
CID 95155114
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114043
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748
1-(4-acetylphenyl)-3-[[5-(pyrrolidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 74736342
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea (CID 60724313) is 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea is CCN1CCCC1CNC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea?
The InChIKey is PQCPVNVCINPOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19-10-4-5-15(19)11-17-16(21)18-14-8-6-13(7-9-14)12(2)20/h6-9,15H,3-5,10-11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea?
1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea has a molecular weight of 289.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea is sourced from PubChem (CID 60724313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).