N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide

C18H27N5O2 — CID 30709809

IUPACN-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide
SMILESCCC(CC)[C@H](CNC(=O)c1ccc2n[nH]nc2c1)N1CCOCC1
InChIInChI=1S/C18H27N5O2/c1-3-13(4-2)17(23-7-9-25-10-8-23)12-19-18(24)14-5-6-15-16(11-14)21-22-20-15/h5-6,11,13,17H,3-4,7-10,12H2,1-2H3,(H,19,24)(H,20,21,22)/t17-/m0/s1
InChIKeyDPKRZUGWHAWRKQ-KRWDZBQOSA-N
MW345.45 g/mol
LogP1.82
Rot. Bonds7

About N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide

N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide (PubChem CID 30709809) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide
PubChem CID30709809
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide
SMILESCCC(CC)[C@H](CNC(=O)c1ccc2n[nH]nc2c1)N1CCOCC1
InChIInChI=1S/C18H27N5O2/c1-3-13(4-2)17(23-7-9-25-10-8-23)12-19-18(24)14-5-6-15-16(11-14)21-22-20-15/h5-6,11,13,17H,3-4,7-10,12H2,1-2H3,(H,19,24)(H,20,21,22)/t17-/m0/s1
InChIKeyDPKRZUGWHAWRKQ-KRWDZBQOSA-N
XLogP1.82
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide (CID 30709809) is N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide is CCC(CC)[C@H](CNC(=O)c1ccc2n[nH]nc2c1)N1CCOCC1.
What is the InChIKey of N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is DPKRZUGWHAWRKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-13(4-2)17(23-7-9-25-10-8-23)12-19-18(24)14-5-6-15-16(11-14)21-22-20-15/h5-6,11,13,17H,3-4,7-10,12H2,1-2H3,(H,19,24)(H,20,21,22)/t17-/m0/s1.
What are the key properties of N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide?
N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 30709809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).