3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide

C22H29NO3 — CID 102377978

IUPAC3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@@H](C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C22H29NO3/c1-15(2)10-17-6-8-18(9-7-17)16(3)14-23-22(24)19-11-20(25-4)13-21(12-19)26-5/h6-9,11-13,15-16H,10,14H2,1-5H3,(H,23,24)/t16-/m1/s1
InChIKeyVLJSZODLNHVTPS-MRXNPFEDSA-N
MW355.48 g/mol
LogP4.44
Rot. Bonds8

About 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide

3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide (PubChem CID 102377978) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide
PubChem CID102377978
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@@H](C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C22H29NO3/c1-15(2)10-17-6-8-18(9-7-17)16(3)14-23-22(24)19-11-20(25-4)13-21(12-19)26-5/h6-9,11-13,15-16H,10,14H2,1-5H3,(H,23,24)/t16-/m1/s1
InChIKeyVLJSZODLNHVTPS-MRXNPFEDSA-N
XLogP4.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide (CID 102377978) is 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide is COc1cc(OC)cc(C(=O)NC[C@@H](C)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide?
The InChIKey is VLJSZODLNHVTPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(2)10-17-6-8-18(9-7-17)16(3)14-23-22(24)19-11-20(25-4)13-21(12-19)26-5/h6-9,11-13,15-16H,10,14H2,1-5H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide?
3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide has a molecular weight of 355.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide is sourced from PubChem (CID 102377978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).