N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

C22H40N4O2 — CID 90725423

IUPACN-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1CCC2(C)C1CCN2C1CCCC1)C(C)(C)C
InChIInChI=1S/C22H40N4O2/c1-15(23-6)19(27)24-18(21(2,3)4)20(28)25-14-12-22(5)17(25)11-13-26(22)16-9-7-8-10-16/h15-18,23H,7-14H2,1-6H3,(H,24,27)
InChIKeyVNVNSIVCGAMZOT-UHFFFAOYSA-N
MW392.59 g/mol
LogP2.13
Rot. Bonds5

About N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (PubChem CID 90725423) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
PubChem CID90725423
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC NameN-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1CCC2(C)C1CCN2C1CCCC1)C(C)(C)C
InChIInChI=1S/C22H40N4O2/c1-15(23-6)19(27)24-18(21(2,3)4)20(28)25-14-12-22(5)17(25)11-13-26(22)16-9-7-8-10-16/h15-18,23H,7-14H2,1-6H3,(H,24,27)
InChIKeyVNVNSIVCGAMZOT-UHFFFAOYSA-N
XLogP2.13
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide with MolForge

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Related Compounds

N-[1-(1-acetyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 90836976
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 71168276
1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66608629
(2S)-N-[3,3-dimethyl-1-oxo-1-[2-[(2-oxo-5-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]butan-2-yl]-2-(methylamino)propanamide
CID 134423494
4-amino-1-[(2S)-3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxamide
CID 145496642
(2S)-N-[(2S)-1-[(2S)-2-[2-[(2-aminoacetyl)-propan-2-ylamino]ethyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 134423511
[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-4-(propan-2-ylcarbamoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-6-yl] N-cyclohexylcarbamate
CID 67607618
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1-phenylpropyl]pyrrolidine-2-carboxamide
CID 146477107
(2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-[3-(N-methylanilino)phenyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 54670374
3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide
CID 167012122
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
CID 11476147
N-[1-[4-cyclopentyl-6-(6-fluoro-1H-indol-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 67409006

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (CID 90725423) is N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is CNC(C)C(=O)NC(C(=O)N1CCC2(C)C1CCN2C1CCCC1)C(C)(C)C.
What is the InChIKey of N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The InChIKey is VNVNSIVCGAMZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-15(23-6)19(27)24-18(21(2,3)4)20(28)25-14-12-22(5)17(25)11-13-26(22)16-9-7-8-10-16/h15-18,23H,7-14H2,1-6H3,(H,24,27).
What are the key properties of N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide has a molecular weight of 392.59 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopentyl-6a-methyl-3,3a,5,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 90725423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).