(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide

C17H24N4O2 — CID 99830093

IUPAC(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
SMILESCC[C@@]1(C)CN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C17H24N4O2/c1-4-17(3)11-21(9-10-23-17)16(22)18-12(2)15-19-13-7-5-6-8-14(13)20-15/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)(H,19,20)/t12-,17-/m0/s1
InChIKeyKYNCOSXUEUOZQL-SJCJKPOMSA-N
MW316.40 g/mol
LogP2.83
Rot. Bonds3

About (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide

(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide (PubChem CID 99830093) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
PubChem CID99830093
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
SMILESCC[C@@]1(C)CN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C17H24N4O2/c1-4-17(3)11-21(9-10-23-17)16(22)18-12(2)15-19-13-7-5-6-8-14(13)20-15/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)(H,19,20)/t12-,17-/m0/s1
InChIKeyKYNCOSXUEUOZQL-SJCJKPOMSA-N
XLogP2.83
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
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CID 84594730
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
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CID 119834530

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide (CID 99830093) is (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide is CC[C@@]1(C)CN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCO1.
What is the InChIKey of (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The InChIKey is KYNCOSXUEUOZQL-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-17(3)11-21(9-10-23-17)16(22)18-12(2)15-19-13-7-5-6-8-14(13)20-15/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)(H,19,20)/t12-,17-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99830093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).