N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide

C27H34N2O — CID 20900075

IUPACN-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccc(C)c(Cn2cc(CCC(=O)NC3CCCCCC3)c3ccccc32)c1
InChIInChI=1S/C27H34N2O/c1-20-13-14-21(2)23(17-20)19-29-18-22(25-11-7-8-12-26(25)29)15-16-27(30)28-24-9-5-3-4-6-10-24/h7-8,11-14,17-18,24H,3-6,9-10,15-16,19H2,1-2H3,(H,28,30)
InChIKeyVYTJSXGREWZQFD-UHFFFAOYSA-N
MW402.58 g/mol
LogP6.08
Rot. Bonds6

About N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide

N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide (PubChem CID 20900075) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
PubChem CID20900075
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC NameN-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccc(C)c(Cn2cc(CCC(=O)NC3CCCCCC3)c3ccccc32)c1
InChIInChI=1S/C27H34N2O/c1-20-13-14-21(2)23(17-20)19-29-18-22(25-11-7-8-12-26(25)29)15-16-27(30)28-24-9-5-3-4-6-10-24/h7-8,11-14,17-18,24H,3-6,9-10,15-16,19H2,1-2H3,(H,28,30)
InChIKeyVYTJSXGREWZQFD-UHFFFAOYSA-N
XLogP6.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900033
N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900096
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 20900094
N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900035
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 20900099
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 20900031
N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
CID 41109175
N-cyclopentyl-2-[5-[(2,5-dimethylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892048
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
N-(2,4-dimethylphenyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 3624347
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide (CID 20900075) is N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide is Cc1ccc(C)c(Cn2cc(CCC(=O)NC3CCCCCC3)c3ccccc32)c1.
What is the InChIKey of N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide?
The InChIKey is VYTJSXGREWZQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-20-13-14-21(2)23(17-20)19-29-18-22(25-11-7-8-12-26(25)29)15-16-27(30)28-24-9-5-3-4-6-10-24/h7-8,11-14,17-18,24H,3-6,9-10,15-16,19H2,1-2H3,(H,28,30).
What are the key properties of N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide?
N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 402.58 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 20900075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).