1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide

C21H28N2O2 — CID 42789664

IUPAC1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1cccc(Cn2c3c(c(C)c2C(=O)NC(C)C)CCCC3)c1
InChIInChI=1S/C21H28N2O2/c1-14(2)22-21(24)20-15(3)18-10-5-6-11-19(18)23(20)13-16-8-7-9-17(12-16)25-4/h7-9,12,14H,5-6,10-11,13H2,1-4H3,(H,22,24)
InChIKeyTWUYTEQRNMIBHF-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.87
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide

1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 42789664) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID42789664
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1cccc(Cn2c3c(c(C)c2C(=O)NC(C)C)CCCC3)c1
InChIInChI=1S/C21H28N2O2/c1-14(2)22-21(24)20-15(3)18-10-5-6-11-19(18)23(20)13-16-8-7-9-17(12-16)25-4/h7-9,12,14H,5-6,10-11,13H2,1-4H3,(H,22,24)
InChIKeyTWUYTEQRNMIBHF-UHFFFAOYSA-N
XLogP3.87
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide with MolForge

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Related Compounds

[1-[(3-methoxyphenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42789667
2-(3,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 42836536
4-chloro-9-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrimido[4,5-b]indole
CID 118625590
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide
CID 20891082
3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073626
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
CID 42810289
3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 46127402
4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide
CID 70800165
3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 95813060
3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide
CID 18338856

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide (CID 42789664) is 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide is COc1cccc(Cn2c3c(c(C)c2C(=O)NC(C)C)CCCC3)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is TWUYTEQRNMIBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(2)22-21(24)20-15(3)18-10-5-6-11-19(18)23(20)13-16-8-7-9-17(12-16)25-4/h7-9,12,14H,5-6,10-11,13H2,1-4H3,(H,22,24).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide?
1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 42789664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).