N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

C23H33N3O2 — CID 134699293

IUPACN-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCN(C)C1C[C@@H]2CC(N(C)C(=O)Cc3ccc(NC(=O)C4CC4)cc3)C[C@@H]2C1
InChIInChI=1S/C23H33N3O2/c1-25(2)20-11-17-13-21(14-18(17)12-20)26(3)22(27)10-15-4-8-19(9-5-15)24-23(28)16-6-7-16/h4-5,8-9,16-18,20-21H,6-7,10-14H2,1-3H3,(H,24,28)/t17-,18+,20?,21?
InChIKeyJWBTYUZHTNWQDH-FWGXRIOKSA-N
MW383.54 g/mol
LogP3.15
Rot. Bonds6

About N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (PubChem CID 134699293) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
PubChem CID134699293
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCN(C)C1C[C@@H]2CC(N(C)C(=O)Cc3ccc(NC(=O)C4CC4)cc3)C[C@@H]2C1
InChIInChI=1S/C23H33N3O2/c1-25(2)20-11-17-13-21(14-18(17)12-20)26(3)22(27)10-15-4-8-19(9-5-15)24-23(28)16-6-7-16/h4-5,8-9,16-18,20-21H,6-7,10-14H2,1-3H3,(H,24,28)/t17-,18+,20?,21?
InChIKeyJWBTYUZHTNWQDH-FWGXRIOKSA-N
XLogP3.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 134713031
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
2-(4-acetamidophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17480753
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119719010
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119286915
N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111483440
3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119717914

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (CID 134699293) is N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is CN(C)C1C[C@@H]2CC(N(C)C(=O)Cc3ccc(NC(=O)C4CC4)cc3)C[C@@H]2C1.
What is the InChIKey of N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is JWBTYUZHTNWQDH-FWGXRIOKSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-25(2)20-11-17-13-21(14-18(17)12-20)26(3)22(27)10-15-4-8-19(9-5-15)24-23(28)16-6-7-16/h4-5,8-9,16-18,20-21H,6-7,10-14H2,1-3H3,(H,24,28)/t17-,18+,20?,21?.
What are the key properties of N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134699293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).