N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide

C25H26N2O — CID 164781372

IUPACN-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NCC2=CC=CC2)c2ccccc21
InChIInChI=1S/C25H26N2O/c1-19-8-2-5-11-21(19)17-27-18-22(23-12-6-7-13-24(23)27)14-15-25(28)26-16-20-9-3-4-10-20/h2-9,11-13,18H,10,14-17H2,1H3,(H,26,28)
InChIKeyJYURMJSTOISGRQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.93
Rot. Bonds7

About N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide

N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide (PubChem CID 164781372) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
PubChem CID164781372
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NCC2=CC=CC2)c2ccccc21
InChIInChI=1S/C25H26N2O/c1-19-8-2-5-11-21(19)17-27-18-22(23-12-6-7-13-24(23)27)14-15-25(28)26-16-20-9-3-4-10-20/h2-9,11-13,18H,10,14-17H2,1H3,(H,26,28)
InChIKeyJYURMJSTOISGRQ-UHFFFAOYSA-N
XLogP4.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20900039
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
N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900035
5-[1-[(2-methylphenyl)methyl]indol-3-yl]pentan-2-one;1,2,3-trimethylbenzene
CID 154688157
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20900005
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 20900031
4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 22522978
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899973

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide (CID 164781372) is N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide.
What is the SMILES notation for N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The canonical SMILES for N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide is Cc1ccccc1Cn1cc(CCC(=O)NCC2=CC=CC2)c2ccccc21.
What is the InChIKey of N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The InChIKey is JYURMJSTOISGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-19-8-2-5-11-21(19)17-27-18-22(23-12-6-7-13-24(23)27)14-15-25(28)26-16-20-9-3-4-10-20/h2-9,11-13,18H,10,14-17H2,1H3,(H,26,28).
What are the key properties of N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 164781372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).