3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide

C29H36N2O3 — CID 14570112

IUPAC3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESCCCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H36N2O3/c1-5-6-12-23-18-25(13-15-26(23)24-14-16-27(33-3)28(19-24)34-4)29(32)31-21(2)9-7-10-22-11-8-17-30-20-22/h8,11,13-21H,5-7,9-10,12H2,1-4H3,(H,31,32)/t21-/m1/s1
InChIKeyCVYKZBQKPODZOD-OAQYLSRUSA-N
MW460.62 g/mol
LogP6.25
Rot. Bonds12

About 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide

3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (PubChem CID 14570112) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.

Molecular Properties

Compound Name3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
PubChem CID14570112
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC Name3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESCCCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C29H36N2O3/c1-5-6-12-23-18-25(13-15-26(23)24-14-16-27(33-3)28(19-24)34-4)29(32)31-21(2)9-7-10-22-11-8-17-30-20-22/h8,11,13-21H,5-7,9-10,12H2,1-4H3,(H,31,32)/t21-/m1/s1
InChIKeyCVYKZBQKPODZOD-OAQYLSRUSA-N
XLogP6.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The IUPAC name of 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (CID 14570112) is 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.
What is the SMILES notation for 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The canonical SMILES for 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is CCCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The InChIKey is CVYKZBQKPODZOD-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-5-6-12-23-18-25(13-15-26(23)24-14-16-27(33-3)28(19-24)34-4)29(32)31-21(2)9-7-10-22-11-8-17-30-20-22/h8,11,13-21H,5-7,9-10,12H2,1-4H3,(H,31,32)/t21-/m1/s1.
What are the key properties of 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide has a molecular weight of 460.62 g/mol, XLogP of 6.25, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is sourced from PubChem (CID 14570112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).