1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide

C16H21N3O — CID 119279938

IUPAC1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
SMILESCc1cc2cc(NC(=O)C3(N)CCCCC3)ccc2[nH]1
InChIInChI=1S/C16H21N3O/c1-11-9-12-10-13(5-6-14(12)18-11)19-15(20)16(17)7-3-2-4-8-16/h5-6,9-10,18H,2-4,7-8,17H2,1H3,(H,19,20)
InChIKeyMEOSYEZLPHTMCL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds2

About 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide

1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide (PubChem CID 119279938) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
PubChem CID119279938
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
SMILESCc1cc2cc(NC(=O)C3(N)CCCCC3)ccc2[nH]1
InChIInChI=1S/C16H21N3O/c1-11-9-12-10-13(5-6-14(12)18-11)19-15(20)16(17)7-3-2-4-8-16/h5-6,9-10,18H,2-4,7-8,17H2,1H3,(H,19,20)
InChIKeyMEOSYEZLPHTMCL-UHFFFAOYSA-N
XLogP3.08
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide (CID 119279938) is 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide is Cc1cc2cc(NC(=O)C3(N)CCCCC3)ccc2[nH]1.
What is the InChIKey of 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is MEOSYEZLPHTMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-12-10-13(5-6-14(12)18-11)19-15(20)16(17)7-3-2-4-8-16/h5-6,9-10,18H,2-4,7-8,17H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide?
1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119279938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).