N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide

C23H24N2O4 — CID 169197709

IUPACN-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)NCC(=O)N3C4C[C@]4(C)C[C@H]3C=O)cc2)cc1
InChIInChI=1S/C23H24N2O4/c1-15-3-7-18(8-4-15)29-19-9-5-16(6-10-19)22(28)24-13-21(27)25-17(14-26)11-23(2)12-20(23)25/h3-10,14,17,20H,11-13H2,1-2H3,(H,24,28)/t17-,20?,23-/m0/s1
InChIKeyBTGCUNLNORMBQL-FLOOPIEZSA-N
MW392.46 g/mol
LogP3.10
Rot. Bonds6

About N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide

N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide (PubChem CID 169197709) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide
PubChem CID169197709
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)NCC(=O)N3C4C[C@]4(C)C[C@H]3C=O)cc2)cc1
InChIInChI=1S/C23H24N2O4/c1-15-3-7-18(8-4-15)29-19-9-5-16(6-10-19)22(28)24-13-21(27)25-17(14-26)11-23(2)12-20(23)25/h3-10,14,17,20H,11-13H2,1-2H3,(H,24,28)/t17-,20?,23-/m0/s1
InChIKeyBTGCUNLNORMBQL-FLOOPIEZSA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide 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

methyl (1S,3S,5S)-5-methyl-2-[2-[[4-[4-(methylsulfonimidoyl)phenoxy]benzoyl]amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylate
CID 163226657
ethane;ethyl (5S)-2-(2-formamidoacetyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxylate;methanol;1-methyl-4-[4-(trifluoromethyl)phenoxy]benzene
CID 163226757
(1S,3S,5S)-5-methyl-2-[2-[[4-(3-phenyloxetan-3-yl)benzoyl]amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 163225688
(1S,3S,5S)-N-[[4-(N,N'-dimethylcarbamimidoyl)thiophen-2-yl]methyl]-5-methyl-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 163225134
(1S,3S,5S)-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-5-methyl-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 163226233
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
(1S,3S,5S)-N-[3-[(Z)-N'-hydroxycarbamimidoyl]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl]-5-methyl-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 163225977
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
(2S,4R)-4-fluoro-4-(methoxymethyl)-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 163226255
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24553132

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide?
The IUPAC name of N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide (CID 169197709) is N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide.
What is the SMILES notation for N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide?
The canonical SMILES for N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide is Cc1ccc(Oc2ccc(C(=O)NCC(=O)N3C4C[C@]4(C)C[C@H]3C=O)cc2)cc1.
What is the InChIKey of N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide?
The InChIKey is BTGCUNLNORMBQL-FLOOPIEZSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-3-7-18(8-4-15)29-19-9-5-16(6-10-19)22(28)24-13-21(27)25-17(14-26)11-23(2)12-20(23)25/h3-10,14,17,20H,11-13H2,1-2H3,(H,24,28)/t17-,20?,23-/m0/s1.
What are the key properties of N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide?
N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5R)-3-formyl-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-4-(4-methylphenoxy)benzamide is sourced from PubChem (CID 169197709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).