2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid

C16H23N3O3 — CID 166746759

IUPAC2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(C(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C16H23N3O3/c20-15(17-9-12-19-10-1-2-11-19)14-5-3-13(4-6-14)7-8-18-16(21)22/h3-6,18H,1-2,7-12H2,(H,17,20)(H,21,22)
InChIKeyUGRKEUQLTYBIEC-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.32
Rot. Bonds7

About 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid

2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid (PubChem CID 166746759) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
PubChem CID166746759
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(C(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C16H23N3O3/c20-15(17-9-12-19-10-1-2-11-19)14-5-3-13(4-6-14)7-8-18-16(21)22/h3-6,18H,1-2,7-12H2,(H,17,20)(H,21,22)
InChIKeyUGRKEUQLTYBIEC-UHFFFAOYSA-N
XLogP1.32
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 23090890
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119881976
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
4-[[(2-amino-2-methylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881951

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid?
The IUPAC name of 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid (CID 166746759) is 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid is O=C(O)NCCc1ccc(C(=O)NCCN2CCCC2)cc1.
What is the InChIKey of 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid?
The InChIKey is UGRKEUQLTYBIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15(17-9-12-19-10-1-2-11-19)14-5-3-13(4-6-14)7-8-18-16(21)22/h3-6,18H,1-2,7-12H2,(H,17,20)(H,21,22).
What are the key properties of 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid?
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid has a molecular weight of 305.38 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid is sourced from PubChem (CID 166746759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).