(2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

C17H24N2O2 — CID 62551515

IUPAC(2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC1CCCC(CO)(NC(=O)[C@@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C17H24N2O2/c1-12-5-4-8-17(10-12,11-20)19-16(21)15-9-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,15,18,20H,4-5,8-11H2,1H3,(H,19,21)/t12?,15-,17?/m0/s1
InChIKeyVHJNJRUUKBBVMH-VXKCQOAXSA-N
MW288.39 g/mol
LogP2.08
Rot. Bonds3

About (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 62551515) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID62551515
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC1CCCC(CO)(NC(=O)[C@@H]2Cc3ccccc3N2)C1
InChIInChI=1S/C17H24N2O2/c1-12-5-4-8-17(10-12,11-20)19-16(21)15-9-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,15,18,20H,4-5,8-11H2,1H3,(H,19,21)/t12?,15-,17?/m0/s1
InChIKeyVHJNJRUUKBBVMH-VXKCQOAXSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 62551515) is (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is CC1CCCC(CO)(NC(=O)[C@@H]2Cc3ccccc3N2)C1.
What is the InChIKey of (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VHJNJRUUKBBVMH-VXKCQOAXSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-4-8-17(10-12,11-20)19-16(21)15-9-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,15,18,20H,4-5,8-11H2,1H3,(H,19,21)/t12?,15-,17?/m0/s1.
What are the key properties of (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 62551515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).