N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide

C19H27N3O — CID 131946732

IUPACN-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide
SMILESCCn1c(C)cc2cc(NC(=O)C3CCCCCN3C)ccc21
InChIInChI=1S/C19H27N3O/c1-4-22-14(2)12-15-13-16(9-10-17(15)22)20-19(23)18-8-6-5-7-11-21(18)3/h9-10,12-13,18H,4-8,11H2,1-3H3,(H,20,23)
InChIKeyIQRSHOZLORRFDM-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.78
Rot. Bonds3

About N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide

N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide (PubChem CID 131946732) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide
PubChem CID131946732
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide
SMILESCCn1c(C)cc2cc(NC(=O)C3CCCCCN3C)ccc21
InChIInChI=1S/C19H27N3O/c1-4-22-14(2)12-15-13-16(9-10-17(15)22)20-19(23)18-8-6-5-7-11-21(18)3/h9-10,12-13,18H,4-8,11H2,1-3H3,(H,20,23)
InChIKeyIQRSHOZLORRFDM-UHFFFAOYSA-N
XLogP3.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide
CID 131891899
N-(1-ethyl-2-methylindol-5-yl)-3-(1-methylpiperidin-2-yl)propanamide
CID 131946875
N-(1-ethyl-2-methylindol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 131891608
N-(1-ethyl-2-methylindol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131932657
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
2-amino-N-(1-ethyl-2-methylindol-5-yl)propanamide
CID 131907510
N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
CID 72862845
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(1-ethyl-2-methylindol-5-yl)acetamide
CID 131921817
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923
N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 118794893
N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide
CID 59715135

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide?
The IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide (CID 131946732) is N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide?
The canonical SMILES for N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide is CCn1c(C)cc2cc(NC(=O)C3CCCCCN3C)ccc21.
What is the InChIKey of N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide?
The InChIKey is IQRSHOZLORRFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-22-14(2)12-15-13-16(9-10-17(15)22)20-19(23)18-8-6-5-7-11-21(18)3/h9-10,12-13,18H,4-8,11H2,1-3H3,(H,20,23).
What are the key properties of N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide?
N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide is sourced from PubChem (CID 131946732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).