N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide

C21H31N3O2 — CID 20954540

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NCCN(C)C1CCCCC1
InChIInChI=1S/C21H31N3O2/c1-3-20(25)24-18-12-8-7-9-16(18)15-19(24)21(26)22-13-14-23(2)17-10-5-4-6-11-17/h7-9,12,17,19H,3-6,10-11,13-15H2,1-2H3,(H,22,26)
InChIKeyJRCJSPQJMYORNC-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.73
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20954540) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
PubChem CID20954540
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NCCN(C)C1CCCCC1
InChIInChI=1S/C21H31N3O2/c1-3-20(25)24-18-12-8-7-9-16(18)15-19(24)21(26)22-13-14-23(2)17-10-5-4-6-11-17/h7-9,12,17,19H,3-6,10-11,13-15H2,1-2H3,(H,22,26)
InChIKeyJRCJSPQJMYORNC-UHFFFAOYSA-N
XLogP2.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide (CID 20954540) is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide is CCC(=O)N1c2ccccc2CC1C(=O)NCCN(C)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is JRCJSPQJMYORNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-20(25)24-18-12-8-7-9-16(18)15-19(24)21(26)22-13-14-23(2)17-10-5-4-6-11-17/h7-9,12,17,19H,3-6,10-11,13-15H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).