N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C22H35N3O3 — CID 108539720

IUPACN-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1=O
InChIInChI=1S/C22H35N3O3/c1-14(2)25-13-18(8-20(25)27)21(28)24-4-3-23-19(26)12-22-9-15-5-16(10-22)7-17(6-15)11-22/h14-18H,3-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyIXHGRWFRWZIJAU-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.08
Rot. Bonds7

About N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108539720) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108539720
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1=O
InChIInChI=1S/C22H35N3O3/c1-14(2)25-13-18(8-20(25)27)21(28)24-4-3-23-19(26)12-22-9-15-5-16(10-22)7-17(6-15)11-22/h14-18H,3-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyIXHGRWFRWZIJAU-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108538490
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108540657
N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
CID 108572395
N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 78859348
(3R)-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95130167
5-oxo-1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49355941
N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108572384
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108539720) is N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1=O.
What is the InChIKey of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IXHGRWFRWZIJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-14(2)25-13-18(8-20(25)27)21(28)24-4-3-23-19(26)12-22-9-15-5-16(10-22)7-17(6-15)11-22/h14-18H,3-13H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108539720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).