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

C27H32N2O3 — CID 14570105

IUPAC4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H32N2O3/c1-5-21-16-23(11-13-24(21)22-12-14-25(31-3)26(17-22)32-4)27(30)29-19(2)8-6-9-20-10-7-15-28-18-20/h7,10-19H,5-6,8-9H2,1-4H3,(H,29,30)/t19-/m1/s1
InChIKeyFYKDRVAHCYTSBC-LJQANCHMSA-N
MW432.56 g/mol
LogP5.47
Rot. Bonds10

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

4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (PubChem CID 14570105) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
PubChem CID14570105
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H32N2O3/c1-5-21-16-23(11-13-24(21)22-12-14-25(31-3)26(17-22)32-4)27(30)29-19(2)8-6-9-20-10-7-15-28-18-20/h7,10-19H,5-6,8-9H2,1-4H3,(H,29,30)/t19-/m1/s1
InChIKeyFYKDRVAHCYTSBC-LJQANCHMSA-N
XLogP5.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (CID 14570105) is 4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is CCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The InChIKey is FYKDRVAHCYTSBC-LJQANCHMSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-5-21-16-23(11-13-24(21)22-12-14-25(31-3)26(17-22)32-4)27(30)29-19(2)8-6-9-20-10-7-15-28-18-20/h7,10-19H,5-6,8-9H2,1-4H3,(H,29,30)/t19-/m1/s1.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide has a molecular weight of 432.56 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-ethyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is sourced from PubChem (CID 14570105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).