[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid

C23H29N3O3 — CID 22253496

IUPAC[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid
SMILESCN(C(=O)Cc1ccccc1CNC(=O)O)C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-25(21(17-26-13-7-8-14-26)18-9-3-2-4-10-18)22(27)15-19-11-5-6-12-20(19)16-24-23(28)29/h2-6,9-12,21,24H,7-8,13-17H2,1H3,(H,28,29)
InChIKeySJARKNALWYCPKG-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.29
Rot. Bonds8

About [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid

[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid (PubChem CID 22253496) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid
PubChem CID22253496
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid
SMILESCN(C(=O)Cc1ccccc1CNC(=O)O)C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-25(21(17-26-13-7-8-14-26)18-9-3-2-4-10-18)22(27)15-19-11-5-6-12-20(19)16-24-23(28)29/h2-6,9-12,21,24H,7-8,13-17H2,1H3,(H,28,29)
InChIKeySJARKNALWYCPKG-UHFFFAOYSA-N
XLogP3.29
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866
2-[2-(methanesulfonamido)phenyl]-N-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;methanesulfonic acid
CID 10229395
2-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
N-methyl-2-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 118927562
2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 138739466
2-(1-benzofuran-4-yl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 15485674
2-(1-benzofuran-4-yl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;sulfane
CID 158181130
2-anthracen-9-yl-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
CID 10161599
2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
CID 10227765

Frequently Asked Questions

What is the IUPAC name of [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid?
The IUPAC name of [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid (CID 22253496) is [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid.
What is the SMILES notation for [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid?
The canonical SMILES for [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid is CN(C(=O)Cc1ccccc1CNC(=O)O)C(CN1CCCC1)c1ccccc1.
What is the InChIKey of [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid?
The InChIKey is SJARKNALWYCPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25(21(17-26-13-7-8-14-26)18-9-3-2-4-10-18)22(27)15-19-11-5-6-12-20(19)16-24-23(28)29/h2-6,9-12,21,24H,7-8,13-17H2,1H3,(H,28,29).
What are the key properties of [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid?
[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid has a molecular weight of 395.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid is sourced from PubChem (CID 22253496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).