N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide

C16H24N2O2 — CID 167991106

IUPACN-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1[C@H]2CN(C(=O)C3[C@H]4CCC[C@@H]34)C[C@@H]12
InChIInChI=1S/C16H24N2O2/c1-8(2)15(19)17-14-11-6-18(7-12(11)14)16(20)13-9-4-3-5-10(9)13/h8-14H,3-7H2,1-2H3,(H,17,19)/t9-,10+,11-,12+,13?,14?
InChIKeyNJRIWRPRZGGPAH-QHMRNEKISA-N
MW276.38 g/mol
LogP1.26
Rot. Bonds3

About N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide

N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide (PubChem CID 167991106) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
PubChem CID167991106
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1[C@H]2CN(C(=O)C3[C@H]4CCC[C@@H]34)C[C@@H]12
InChIInChI=1S/C16H24N2O2/c1-8(2)15(19)17-14-11-6-18(7-12(11)14)16(20)13-9-4-3-5-10(9)13/h8-14H,3-7H2,1-2H3,(H,17,19)/t9-,10+,11-,12+,13?,14?
InChIKeyNJRIWRPRZGGPAH-QHMRNEKISA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide with MolForge

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Related Compounds

N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
CID 58129263
aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 130667355
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
[2-(1-aminoethyl)morpholin-4-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484253
azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 79600645
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone
CID 71984604
[3-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119594774

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide?
The IUPAC name of N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide (CID 167991106) is N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide is CC(C)C(=O)NC1[C@H]2CN(C(=O)C3[C@H]4CCC[C@@H]34)C[C@@H]12.
What is the InChIKey of N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide?
The InChIKey is NJRIWRPRZGGPAH-QHMRNEKISA-N. The full InChI is InChI=1S/C16H24N2O2/c1-8(2)15(19)17-14-11-6-18(7-12(11)14)16(20)13-9-4-3-5-10(9)13/h8-14H,3-7H2,1-2H3,(H,17,19)/t9-,10+,11-,12+,13?,14?.
What are the key properties of N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide?
N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide is sourced from PubChem (CID 167991106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).