N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide

C17H25N5O2 — CID 30751417

IUPACN-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide
SMILESCC(C)C[C@H](CNC(=O)c1ccc2n[nH]nc2c1)N1CCOCC1
InChIInChI=1S/C17H25N5O2/c1-12(2)9-14(22-5-7-24-8-6-22)11-18-17(23)13-3-4-15-16(10-13)20-21-19-15/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,18,23)(H,19,20,21)/t14-/m1/s1
InChIKeyHODOWIQKKOTMED-CQSZACIVSA-N
MW331.42 g/mol
LogP1.43
Rot. Bonds6

About N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide

N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide (PubChem CID 30751417) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide
PubChem CID30751417
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide
SMILESCC(C)C[C@H](CNC(=O)c1ccc2n[nH]nc2c1)N1CCOCC1
InChIInChI=1S/C17H25N5O2/c1-12(2)9-14(22-5-7-24-8-6-22)11-18-17(23)13-3-4-15-16(10-13)20-21-19-15/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,18,23)(H,19,20,21)/t14-/m1/s1
InChIKeyHODOWIQKKOTMED-CQSZACIVSA-N
XLogP1.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide (CID 30751417) is N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide is CC(C)C[C@H](CNC(=O)c1ccc2n[nH]nc2c1)N1CCOCC1.
What is the InChIKey of N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is HODOWIQKKOTMED-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)9-14(22-5-7-24-8-6-22)11-18-17(23)13-3-4-15-16(10-13)20-21-19-15/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,18,23)(H,19,20,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide?
N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 30751417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).