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

C28H34N2O3 — CID 14570109

IUPAC4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESCCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C28H34N2O3/c1-5-8-22-17-24(12-14-25(22)23-13-15-26(32-3)27(18-23)33-4)28(31)30-20(2)9-6-10-21-11-7-16-29-19-21/h7,11-20H,5-6,8-10H2,1-4H3,(H,30,31)/t20-/m1/s1
InChIKeyOJPHVBQPWXJHGQ-HXUWFJFHSA-N
MW446.59 g/mol
LogP5.86
Rot. Bonds11

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

4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (PubChem CID 14570109) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
PubChem CID14570109
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESCCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C28H34N2O3/c1-5-8-22-17-24(12-14-25(22)23-13-15-26(32-3)27(18-23)33-4)28(31)30-20(2)9-6-10-21-11-7-16-29-19-21/h7,11-20H,5-6,8-10H2,1-4H3,(H,30,31)/t20-/m1/s1
InChIKeyOJPHVBQPWXJHGQ-HXUWFJFHSA-N
XLogP5.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.86
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-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (CID 14570109) is 4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is CCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The InChIKey is OJPHVBQPWXJHGQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-5-8-22-17-24(12-14-25(22)23-13-15-26(32-3)27(18-23)33-4)28(31)30-20(2)9-6-10-21-11-7-16-29-19-21/h7,11-20H,5-6,8-10H2,1-4H3,(H,30,31)/t20-/m1/s1.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
4-(3,4-dimethoxyphenyl)-3-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide has a molecular weight of 446.59 g/mol, XLogP of 5.86, 11 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-propyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is sourced from PubChem (CID 14570109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).