2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide

C26H30N2O3 — CID 70583248

IUPAC2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide
SMILESCC(CCc1ccccc1)[C@@H](NC[C@H](O)Oc1ccccc1C(N)=O)c1ccccc1
InChIInChI=1S/C26H30N2O3/c1-19(16-17-20-10-4-2-5-11-20)25(21-12-6-3-7-13-21)28-18-24(29)31-23-15-9-8-14-22(23)26(27)30/h2-15,19,24-25,28-29H,16-18H2,1H3,(H2,27,30)/t19?,24-,25-/m1/s1
InChIKeyPCCMQPPGQRRGMM-UCAJRPBESA-N
MW418.54 g/mol
LogP4.08
Rot. Bonds11

About 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide

2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide (PubChem CID 70583248) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide.

Molecular Properties

Compound Name2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide
PubChem CID70583248
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide
SMILESCC(CCc1ccccc1)[C@@H](NC[C@H](O)Oc1ccccc1C(N)=O)c1ccccc1
InChIInChI=1S/C26H30N2O3/c1-19(16-17-20-10-4-2-5-11-20)25(21-12-6-3-7-13-21)28-18-24(29)31-23-15-9-8-14-22(23)26(27)30/h2-15,19,24-25,28-29H,16-18H2,1H3,(H2,27,30)/t19?,24-,25-/m1/s1
InChIKeyPCCMQPPGQRRGMM-UCAJRPBESA-N
XLogP4.08
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide?
The IUPAC name of 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide (CID 70583248) is 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide.
What is the SMILES notation for 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide?
The canonical SMILES for 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide is CC(CCc1ccccc1)[C@@H](NC[C@H](O)Oc1ccccc1C(N)=O)c1ccccc1.
What is the InChIKey of 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide?
The InChIKey is PCCMQPPGQRRGMM-UCAJRPBESA-N. The full InChI is InChI=1S/C26H30N2O3/c1-19(16-17-20-10-4-2-5-11-20)25(21-12-6-3-7-13-21)28-18-24(29)31-23-15-9-8-14-22(23)26(27)30/h2-15,19,24-25,28-29H,16-18H2,1H3,(H2,27,30)/t19?,24-,25-/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide?
2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide has a molecular weight of 418.54 g/mol, XLogP of 4.08, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide is sourced from PubChem (CID 70583248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).