N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide

C30H36N2O3 — CID 46099303

IUPACN-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide
SMILESCOc1cc(OC)cc(-n2c(CCC(=O)NCC3CCCCC3)cc3c2-c2ccccc2CC3)c1
InChIInChI=1S/C30H36N2O3/c1-34-26-17-25(18-27(19-26)35-2)32-24(14-15-29(33)31-20-21-8-4-3-5-9-21)16-23-13-12-22-10-6-7-11-28(22)30(23)32/h6-7,10-11,16-19,21H,3-5,8-9,12-15,20H2,1-2H3,(H,31,33)
InChIKeyBPGJGZUJZQFSSL-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.89
Rot. Bonds8

About N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide

N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide (PubChem CID 46099303) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide
PubChem CID46099303
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC NameN-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide
SMILESCOc1cc(OC)cc(-n2c(CCC(=O)NCC3CCCCC3)cc3c2-c2ccccc2CC3)c1
InChIInChI=1S/C30H36N2O3/c1-34-26-17-25(18-27(19-26)35-2)32-24(14-15-29(33)31-20-21-8-4-3-5-9-21)16-23-13-12-22-10-6-7-11-28(22)30(23)32/h6-7,10-11,16-19,21H,3-5,8-9,12-15,20H2,1-2H3,(H,31,33)
InChIKeyBPGJGZUJZQFSSL-UHFFFAOYSA-N
XLogP5.89
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-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-(cyclohexylmethyl)-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanamide
CID 46099288
3-[2-amino-6-(2-methoxyphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)propanamide
CID 118970656
N-(cyclohexylmethyl)-3-[3-(3,5-dimethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872340
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
N-(cyclohexylmethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112782944
3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide
CID 178168956
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932878
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide (CID 46099303) is N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide is COc1cc(OC)cc(-n2c(CCC(=O)NCC3CCCCC3)cc3c2-c2ccccc2CC3)c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide?
The InChIKey is BPGJGZUJZQFSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-34-26-17-25(18-27(19-26)35-2)32-24(14-15-29(33)31-20-21-8-4-3-5-9-21)16-23-13-12-22-10-6-7-11-28(22)30(23)32/h6-7,10-11,16-19,21H,3-5,8-9,12-15,20H2,1-2H3,(H,31,33).
What are the key properties of N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide?
N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide has a molecular weight of 472.63 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[1-(3,5-dimethoxyphenyl)-4,5-dihydrobenzo[g]indol-2-yl]propanamide is sourced from PubChem (CID 46099303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).