N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide

C18H30N4O2 — CID 67407234

IUPACN-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1CCC2NCC=C21)C1CCCCC1
InChIInChI=1S/C18H30N4O2/c1-12(19-2)17(23)21-16(13-6-4-3-5-7-13)18(24)22-11-9-14-15(22)8-10-20-14/h8,12-14,16,19-20H,3-7,9-11H2,1-2H3,(H,21,23)
InChIKeyBMWNQWWWQNERCQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP0.75
Rot. Bonds5

About N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide

N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide (PubChem CID 67407234) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
PubChem CID67407234
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1CCC2NCC=C21)C1CCCCC1
InChIInChI=1S/C18H30N4O2/c1-12(19-2)17(23)21-16(13-6-4-3-5-7-13)18(24)22-11-9-14-15(22)8-10-20-14/h8,12-14,16,19-20H,3-7,9-11H2,1-2H3,(H,21,23)
InChIKeyBMWNQWWWQNERCQ-UHFFFAOYSA-N
XLogP0.75
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide?
The IUPAC name of N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide (CID 67407234) is N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide is CNC(C)C(=O)NC(C(=O)N1CCC2NCC=C21)C1CCCCC1.
What is the InChIKey of N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide?
The InChIKey is BMWNQWWWQNERCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12(19-2)17(23)21-16(13-6-4-3-5-7-13)18(24)22-11-9-14-15(22)8-10-20-14/h8,12-14,16,19-20H,3-7,9-11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide?
N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide has a molecular weight of 334.46 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3a,4,5-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 67407234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).