N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide

C24H32N4O4 — CID 154863252

IUPACN-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide
SMILESCN(CC1(O)CCN(Cc2ccccc2)C1)C(=O)NCCNC(=O)COc1ccccc1
InChIInChI=1S/C24H32N4O4/c1-27(18-24(31)12-15-28(19-24)16-20-8-4-2-5-9-20)23(30)26-14-13-25-22(29)17-32-21-10-6-3-7-11-21/h2-11,31H,12-19H2,1H3,(H,25,29)(H,26,30)
InChIKeyUPINSQHEVWVJFI-UHFFFAOYSA-N
MW440.54 g/mol
LogP1.46
Rot. Bonds10

About N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide

N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide (PubChem CID 154863252) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide
PubChem CID154863252
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide
SMILESCN(CC1(O)CCN(Cc2ccccc2)C1)C(=O)NCCNC(=O)COc1ccccc1
InChIInChI=1S/C24H32N4O4/c1-27(18-24(31)12-15-28(19-24)16-20-8-4-2-5-9-20)23(30)26-14-13-25-22(29)17-32-21-10-6-3-7-11-21/h2-11,31H,12-19H2,1H3,(H,25,29)(H,26,30)
InChIKeyUPINSQHEVWVJFI-UHFFFAOYSA-N
XLogP1.46
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[(3S)-1-benzyl-3-hydroxypyrrolidin-3-yl]methyl]-2-(4-ethoxyphenoxy)-N-methylacetamide
CID 99788008
1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-1-methyl-3-(2-morpholin-4-ylpropyl)urea
CID 138044335
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide
CID 155991932
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
(3S)-N-[[(3S)-1-benzyl-3-hydroxypyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylphenyl)butanamide
CID 99788018
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
CID 110287343
1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]urea
CID 166220159
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
CID 132770127
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide (CID 154863252) is N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide is CN(CC1(O)CCN(Cc2ccccc2)C1)C(=O)NCCNC(=O)COc1ccccc1.
What is the InChIKey of N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide?
The InChIKey is UPINSQHEVWVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-27(18-24(31)12-15-28(19-24)16-20-8-4-2-5-9-20)23(30)26-14-13-25-22(29)17-32-21-10-6-3-7-11-21/h2-11,31H,12-19H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide?
N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide has a molecular weight of 440.54 g/mol, XLogP of 1.46, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 154863252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).