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

C19H34N4O3 — CID 90836976

IUPACN-[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
SMILESCNC(C)C(=O)NC(C(=O)N1CCC2(C)C1CCN2C(C)=O)C(C)(C)C
InChIInChI=1S/C19H34N4O3/c1-12(20-7)16(25)21-15(18(3,4)5)17(26)22-11-9-19(6)14(22)8-10-23(19)13(2)24/h12,14-15,20H,8-11H2,1-7H3,(H,21,25)
InChIKeyHJEJCBSOKZBEJG-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.74
Rot. Bonds4

About 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

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 (PubChem CID 90836976) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID90836976
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC NameN-[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
SMILESCNC(C)C(=O)NC(C(=O)N1CCC2(C)C1CCN2C(C)=O)C(C)(C)C
InChIInChI=1S/C19H34N4O3/c1-12(20-7)16(25)21-15(18(3,4)5)17(26)22-11-9-19(6)14(22)8-10-23(19)13(2)24/h12,14-15,20H,8-11H2,1-7H3,(H,21,25)
InChIKeyHJEJCBSOKZBEJG-UHFFFAOYSA-N
XLogP0.74
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
(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
1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
CID 67606682
(2S)-N-[1-[(3aR,6aS)-6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 163451362
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
CID 11476147
(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
N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]benzamide
CID 59679684
N-[1-[6-[(3,4-difluorophenoxy)methyl]-3a-methyl-2,3,4,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 90809704
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1-phenylpropyl]pyrrolidine-2-carboxamide
CID 146477107

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(C)C(=O)NC(C(=O)N1CCC2(C)C1CCN2C(C)=O)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is HJEJCBSOKZBEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-12(20-7)16(25)21-15(18(3,4)5)17(26)22-11-9-19(6)14(22)8-10-23(19)13(2)24/h12,14-15,20H,8-11H2,1-7H3,(H,21,25).
What are the key properties of 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?
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 has a molecular weight of 366.51 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90836976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).