N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C27H33N3O3 — CID 60551623

IUPACN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccccc1CN(C)C1CCCCC1)C2=O
InChIInChI=1S/C27H33N3O3/c1-19-12-13-23-24(16-19)27(33)30(26(23)32)15-14-25(31)28-17-20-8-6-7-9-21(20)18-29(2)22-10-4-3-5-11-22/h6-9,12-13,16,22H,3-5,10-11,14-15,17-18H2,1-2H3,(H,28,31)
InChIKeyRFBLBYKJKJXJSW-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.06
Rot. Bonds8

About N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 60551623) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID60551623
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccccc1CN(C)C1CCCCC1)C2=O
InChIInChI=1S/C27H33N3O3/c1-19-12-13-23-24(16-19)27(33)30(26(23)32)15-14-25(31)28-17-20-8-6-7-9-21(20)18-29(2)22-10-4-3-5-11-22/h6-9,12-13,16,22H,3-5,10-11,14-15,17-18H2,1-2H3,(H,28,31)
InChIKeyRFBLBYKJKJXJSW-UHFFFAOYSA-N
XLogP4.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide 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-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 32603613
N-[(2-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55907455
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27230477
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 47029004
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55953291
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)propanamide
CID 51266340
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 97199289
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 36543812
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 60551623) is N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccccc1CN(C)C1CCCCC1)C2=O.
What is the InChIKey of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is RFBLBYKJKJXJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-19-12-13-23-24(16-19)27(33)30(26(23)32)15-14-25(31)28-17-20-8-6-7-9-21(20)18-29(2)22-10-4-3-5-11-22/h6-9,12-13,16,22H,3-5,10-11,14-15,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 447.58 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 60551623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).