4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide

C25H33N5O2 — CID 46539633

IUPAC4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)N1CCOCC1
InChIInChI=1S/C25H33N5O2/c1-3-20(4-2)24(29-13-15-32-16-14-29)17-26-25(31)21-11-9-19(10-12-21)18-30-23-8-6-5-7-22(23)27-28-30/h5-12,20,24H,3-4,13-18H2,1-2H3,(H,26,31)
InChIKeyUNNIHKOJWNYKSC-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.35
Rot. Bonds9

About 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide

4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide (PubChem CID 46539633) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
PubChem CID46539633
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)N1CCOCC1
InChIInChI=1S/C25H33N5O2/c1-3-20(4-2)24(29-13-15-32-16-14-29)17-26-25(31)21-11-9-19(10-12-21)18-30-23-8-6-5-7-22(23)27-28-30/h5-12,20,24H,3-4,13-18H2,1-2H3,(H,26,31)
InChIKeyUNNIHKOJWNYKSC-UHFFFAOYSA-N
XLogP3.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
CID 134053070
4-(benzotriazol-1-ylmethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzamide
CID 43061015
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
CID 96534807
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335
4-(benzotriazol-1-ylmethyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 9467803
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601526
1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
CID 55585125
[4-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8948581
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide
CID 55665915
4-(benzotriazol-1-ylmethyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907384

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide (CID 46539633) is 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide is CCC(CC)C(CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)N1CCOCC1.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide?
The InChIKey is UNNIHKOJWNYKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-20(4-2)24(29-13-15-32-16-14-29)17-26-25(31)21-11-9-19(10-12-21)18-30-23-8-6-5-7-22(23)27-28-30/h5-12,20,24H,3-4,13-18H2,1-2H3,(H,26,31).
What are the key properties of 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide?
4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide has a molecular weight of 435.57 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide is sourced from PubChem (CID 46539633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).